[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)-4a,9a-dihydrocarbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-[N-ethyl-4-(2-methylbenzoyl)anilino]phenyl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-hydroxy-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate

C239H207Cl7N12O25S9 — CID 172952001

IUPAC[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)-4a,9a-dihydrocarbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-[N-ethyl-4-(2-methylbenzoyl)anilino]phenyl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-hydroxy-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate
SMILESCC(=O)O/N=C(\CCCSc1ccc(Cl)cc1)c1ccc(N(c2ccccc2)c2ccc(C(=O)c3ccccc3C)cc2)cc1.CC(=O)O/N=C(\CCCSc1ccc(Cl)cc1)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.CC(=O)O/N=C(\CCSc1ccc(Cl)cc1)C(=O)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.CC(=O)O/N=C(\CCSc1ccc(Cl)cc1)C(O)c1ccc(N(c2ccccc2)c2ccc(C(=O)c3ccccc3C)cc2)cc1.CCN(c1ccc(C(=O)/C(CCSc2ccc(Cl)cc2)=N/OC(C)=O)cc1)c1ccc(C(=O)c2ccccc2C)cc1.CCN1c2ccc(C(=O)c3ccccc3C)cc2C2C=C(/C(CCCSc3ccc(Cl)cc3)=N/OC(C)=O)C=CC21.CCn1c2ccc(C(=O)/C(CSc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21
InChIInChI=1S/C38H33ClN2O4S.C38H33ClN2O3S.C34H31ClN2O4S.C34H33ClN2O3S.C33H27ClN2O4S.C31H24ClNO4S2.C31H26ClNO3S2/c1-26-8-6-7-11-35(26)37(43)28-12-18-32(19-13-28)41(31-9-4-3-5-10-31)33-20-14-29(15-21-33)38(44)36(40-45-27(2)42)24-25-46-34-22-16-30(39)17-23-34;1-27-9-6-7-12-36(27)38(43)30-16-22-34(23-17-30)41(32-10-4-3-5-11-32)33-20-14-29(15-21-33)37(40-44-28(2)42)13-8-26-45-35-24-18-31(39)19-25-35;1-4-37(28-15-9-25(10-16-28)33(39)31-8-6-5-7-23(31)2)29-17-11-26(12-18-29)34(40)32(36-41-24(3)38)21-22-42-30-19-13-27(35)14-20-30;1-4-37-32-17-11-24(31(36-40-23(3)38)10-7-19-41-27-15-13-26(35)14-16-27)20-29(32)30-21-25(12-18-33(30)37)34(39)28-9-6-5-8-22(28)2;1-4-36-30-15-9-22(32(38)26-8-6-5-7-20(26)2)17-27(30)28-18-23(10-16-31(28)36)33(39)29(35-40-21(3)37)19-41-25-13-11-24(34)12-14-25;1-21(34)37-33-29(19-20-38-26-17-11-25(32)12-18-26)31(36)24-9-15-28(16-10-24)39-27-13-7-23(8-14-27)30(35)22-5-3-2-4-6-22;1-22(34)36-33-30(8-5-21-37-27-19-13-26(32)14-20-27)23-9-15-28(16-10-23)38-29-17-11-25(12-18-29)31(35)24-6-3-2-4-7-24/h3-23,38,44H,24-25H2,1-2H3;3-7,9-12,14-25H,8,13,26H2,1-2H3;5-20H,4,21-22H2,1-3H3;5-6,8-9,11-18,20-21,29,32H,4,7,10,19H2,1-3H3;5-18H,4,19H2,1-3H3;2-18H,19-20H2,1H3;2-4,6-7,9-20H,5,8,21H2,1H3/b40-36+;40-37+;36-32+;36-31+;35-29+;33-29+;33-30+
InChIKeyYWBNQDCBJQLBBG-KOYDBSOFSA-N
MW4184.12 g/mol
LogP60.62
Rot. Bonds77

About [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)-4a,9a-dihydrocarbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-[N-ethyl-4-(2-methylbenzoyl)anilino]phenyl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-hydroxy-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate

[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)-4a,9a-dihydrocarbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-[N-ethyl-4-(2-methylbenzoyl)anilino]phenyl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-hydroxy-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate (PubChem CID 172952001) has the molecular formula C239H207Cl7N12O25S9 and a molecular weight of 4184.12 g/mol. Its IUPAC name is [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)-4a,9a-dihydrocarbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-[N-ethyl-4-(2-methylbenzoyl)anilino]phenyl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-hydroxy-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)-4a,9a-dihydrocarbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-[N-ethyl-4-(2-methylbenzoyl)anilino]phenyl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-hydroxy-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate
PubChem CID172952001
Molecular FormulaC239H207Cl7N12O25S9
Molecular Weight4184.12 g/mol
Exact Mass4177.06
IUPAC Name[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)-4a,9a-dihydrocarbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-[N-ethyl-4-(2-methylbenzoyl)anilino]phenyl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-hydroxy-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate
SMILESCC(=O)O/N=C(\CCCSc1ccc(Cl)cc1)c1ccc(N(c2ccccc2)c2ccc(C(=O)c3ccccc3C)cc2)cc1.CC(=O)O/N=C(\CCCSc1ccc(Cl)cc1)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.CC(=O)O/N=C(\CCSc1ccc(Cl)cc1)C(=O)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.CC(=O)O/N=C(\CCSc1ccc(Cl)cc1)C(O)c1ccc(N(c2ccccc2)c2ccc(C(=O)c3ccccc3C)cc2)cc1.CCN(c1ccc(C(=O)/C(CCSc2ccc(Cl)cc2)=N/OC(C)=O)cc1)c1ccc(C(=O)c2ccccc2C)cc1.CCN1c2ccc(C(=O)c3ccccc3C)cc2C2C=C(/C(CCCSc3ccc(Cl)cc3)=N/OC(C)=O)C=CC21.CCn1c2ccc(C(=O)/C(CSc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21
InChIInChI=1S/C38H33ClN2O4S.C38H33ClN2O3S.C34H31ClN2O4S.C34H33ClN2O3S.C33H27ClN2O4S.C31H24ClNO4S2.C31H26ClNO3S2/c1-26-8-6-7-11-35(26)37(43)28-12-18-32(19-13-28)41(31-9-4-3-5-10-31)33-20-14-29(15-21-33)38(44)36(40-45-27(2)42)24-25-46-34-22-16-30(39)17-23-34;1-27-9-6-7-12-36(27)38(43)30-16-22-34(23-17-30)41(32-10-4-3-5-11-32)33-20-14-29(15-21-33)37(40-44-28(2)42)13-8-26-45-35-24-18-31(39)19-25-35;1-4-37(28-15-9-25(10-16-28)33(39)31-8-6-5-7-23(31)2)29-17-11-26(12-18-29)34(40)32(36-41-24(3)38)21-22-42-30-19-13-27(35)14-20-30;1-4-37-32-17-11-24(31(36-40-23(3)38)10-7-19-41-27-15-13-26(35)14-16-27)20-29(32)30-21-25(12-18-33(30)37)34(39)28-9-6-5-8-22(28)2;1-4-36-30-15-9-22(32(38)26-8-6-5-7-20(26)2)17-27(30)28-18-23(10-16-31(28)36)33(39)29(35-40-21(3)37)19-41-25-13-11-24(34)12-14-25;1-21(34)37-33-29(19-20-38-26-17-11-25(32)12-18-26)31(36)24-9-15-28(16-10-24)39-27-13-7-23(8-14-27)30(35)22-5-3-2-4-6-22;1-22(34)36-33-30(8-5-21-37-27-19-13-26(32)14-20-27)23-9-15-28(16-10-23)38-29-17-11-25(12-18-29)31(35)24-6-3-2-4-7-24/h3-23,38,44H,24-25H2,1-2H3;3-7,9-12,14-25H,8,13,26H2,1-2H3;5-20H,4,21-22H2,1-3H3;5-6,8-9,11-18,20-21,29,32H,4,7,10,19H2,1-3H3;5-18H,4,19H2,1-3H3;2-18H,19-20H2,1H3;2-4,6-7,9-20H,5,8,21H2,1H3/b40-36+;40-37+;36-32+;36-31+;35-29+;33-29+;33-30+
InChIKeyYWBNQDCBJQLBBG-KOYDBSOFSA-N
XLogP60.62
TPSA479.44 Ų
H-Bond Donors1
H-Bond Acceptors46
Rotatable Bonds77
Heavy Atoms292
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004184.12
LogP ≤ 560.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1046

Analyze [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)-4a,9a-dihydrocarbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-[N-ethyl-4-(2-methylbenzoyl)anilino]phenyl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-hydroxy-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate with MolForge

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Related Compounds

[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-bromophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate
CID 172923587
[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-hydroxybutan-2-ylidene]amino] acetate
CID 138510789
[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(4-phenylsulfanylbenzoyl)carbazol-3-yl]-1-hydroxybutan-2-ylidene]amino] acetate
CID 172987288
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate
CID 76562821
[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopentan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;bis([(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylbutan-2-ylidene]amino] acetate);[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate
CID 172948668
[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(E)-[4-(4-bromophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylcyclohexa-1,5-diene-1-carbonyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate
CID 172934929
[[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2,2,2-trifluoroacetate
CID 76562841
[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(Z)-[3-(3-bromophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate
CID 172959785
[(E)-[1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate
CID 89027894
(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-(1-hydroxyethoxyimino)butan-1-one
CID 172933674
[[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzoate
CID 76562828
[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] (2E)-2-ethenylpenta-2,4-dienoate
CID 89134486

Frequently Asked Questions

What is the IUPAC name of [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)-4a,9a-dihydrocarbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-[N-ethyl-4-(2-methylbenzoyl)anilino]phenyl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-hydroxy-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate?
The IUPAC name of [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)-4a,9a-dihydrocarbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-[N-ethyl-4-(2-methylbenzoyl)anilino]phenyl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-hydroxy-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate (CID 172952001) is [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)-4a,9a-dihydrocarbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-[N-ethyl-4-(2-methylbenzoyl)anilino]phenyl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-hydroxy-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate.
What is the SMILES notation for [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)-4a,9a-dihydrocarbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-[N-ethyl-4-(2-methylbenzoyl)anilino]phenyl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-hydroxy-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate?
The canonical SMILES for [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)-4a,9a-dihydrocarbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-[N-ethyl-4-(2-methylbenzoyl)anilino]phenyl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-hydroxy-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate is CC(=O)O/N=C(\CCCSc1ccc(Cl)cc1)c1ccc(N(c2ccccc2)c2ccc(C(=O)c3ccccc3C)cc2)cc1.CC(=O)O/N=C(\CCCSc1ccc(Cl)cc1)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.CC(=O)O/N=C(\CCSc1ccc(Cl)cc1)C(=O)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.CC(=O)O/N=C(\CCSc1ccc(Cl)cc1)C(O)c1ccc(N(c2ccccc2)c2ccc(C(=O)c3ccccc3C)cc2)cc1.CCN(c1ccc(C(=O)/C(CCSc2ccc(Cl)cc2)=N/OC(C)=O)cc1)c1ccc(C(=O)c2ccccc2C)cc1.CCN1c2ccc(C(=O)c3ccccc3C)cc2C2C=C(/C(CCCSc3ccc(Cl)cc3)=N/OC(C)=O)C=CC21.CCn1c2ccc(C(=O)/C(CSc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.
What is the InChIKey of [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)-4a,9a-dihydrocarbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-[N-ethyl-4-(2-methylbenzoyl)anilino]phenyl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-hydroxy-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate?
The InChIKey is YWBNQDCBJQLBBG-KOYDBSOFSA-N. The full InChI is InChI=1S/C38H33ClN2O4S.C38H33ClN2O3S.C34H31ClN2O4S.C34H33ClN2O3S.C33H27ClN2O4S.C31H24ClNO4S2.C31H26ClNO3S2/c1-26-8-6-7-11-35(26)37(43)28-12-18-32(19-13-28)41(31-9-4-3-5-10-31)33-20-14-29(15-21-33)38(44)36(40-45-27(2)42)24-25-46-34-22-16-30(39)17-23-34;1-27-9-6-7-12-36(27)38(43)30-16-22-34(23-17-30)41(32-10-4-3-5-11-32)33-20-14-29(15-21-33)37(40-44-28(2)42)13-8-26-45-35-24-18-31(39)19-25-35;1-4-37(28-15-9-25(10-16-28)33(39)31-8-6-5-7-23(31)2)29-17-11-26(12-18-29)34(40)32(36-41-24(3)38)21-22-42-30-19-13-27(35)14-20-30;1-4-37-32-17-11-24(31(36-40-23(3)38)10-7-19-41-27-15-13-26(35)14-16-27)20-29(32)30-21-25(12-18-33(30)37)34(39)28-9-6-5-8-22(28)2;1-4-36-30-15-9-22(32(38)26-8-6-5-7-20(26)2)17-27(30)28-18-23(10-16-31(28)36)33(39)29(35-40-21(3)37)19-41-25-13-11-24(34)12-14-25;1-21(34)37-33-29(19-20-38-26-17-11-25(32)12-18-26)31(36)24-9-15-28(16-10-24)39-27-13-7-23(8-14-27)30(35)22-5-3-2-4-6-22;1-22(34)36-33-30(8-5-21-37-27-19-13-26(32)14-20-27)23-9-15-28(16-10-23)38-29-17-11-25(12-18-29)31(35)24-6-3-2-4-7-24/h3-23,38,44H,24-25H2,1-2H3;3-7,9-12,14-25H,8,13,26H2,1-2H3;5-20H,4,21-22H2,1-3H3;5-6,8-9,11-18,20-21,29,32H,4,7,10,19H2,1-3H3;5-18H,4,19H2,1-3H3;2-18H,19-20H2,1H3;2-4,6-7,9-20H,5,8,21H2,1H3/b40-36+;40-37+;36-32+;36-31+;35-29+;33-29+;33-30+.
What are the key properties of [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)-4a,9a-dihydrocarbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-[N-ethyl-4-(2-methylbenzoyl)anilino]phenyl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-hydroxy-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate?
[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)-4a,9a-dihydrocarbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-[N-ethyl-4-(2-methylbenzoyl)anilino]phenyl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-hydroxy-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate has a molecular weight of 4184.12 g/mol, XLogP of 60.62, 77 rotatable bonds, 1 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)-4a,9a-dihydrocarbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-[N-ethyl-4-(2-methylbenzoyl)anilino]phenyl]-1-oxobutan-2-ylidene]amino] acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-hydroxy-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate is sourced from PubChem (CID 172952001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).