[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(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)carbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]butylidene]amino] benzoate;[(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-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate;methane

C215H200BrCl5N10O21S8 — CID 172916927

IUPAC[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(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)carbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]butylidene]amino] benzoate;[(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-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate;methane
SMILESC.C.C.C.C.CC(=O)O/N=C(\CCCSc1ccc(Cl)cc1)c1ccc(N(c2ccccc2)c2ccc(C(=O)c3ccccc3C)cc2)cc1.CC(=O)O/N=C(\CCSc1ccc(Cl)cc1)C(=O)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.CC(C)(C)C(=O)O/N=C(\CCSc1ccc(Br)cc1)C(=O)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(CCCSc3ccc(Cl)cc3)=N/OC(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(CCCSc3ccc(Cl)cc3)=N/OC(C)=O)ccc21
InChIInChI=1S/C39H33ClN2O3S.C38H33ClN2O3S.C34H30BrNO4S2.C34H29ClN2O4S.C34H31ClN2O3S.C31H24ClNO4S2.5CH4/c1-3-42-36-21-15-28(24-33(36)34-25-29(16-22-37(34)42)38(43)32-13-8-7-10-26(32)2)35(41-45-39(44)27-11-5-4-6-12-27)14-9-23-46-31-19-17-30(40)18-20-31;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;1-34(2,3)33(39)40-36-30(21-22-41-27-19-13-26(35)14-20-27)32(38)25-11-17-29(18-12-25)42-28-15-9-24(10-16-28)31(37)23-7-5-4-6-8-23;1-4-37-31-15-9-23(33(39)27-8-6-5-7-21(27)2)19-28(31)29-20-24(10-16-32(29)37)34(40)30(36-41-22(3)38)17-18-42-26-13-11-25(35)12-14-26;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;1-21(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;;;;;/h4-8,10-13,15-22,24-25H,3,9,14,23H2,1-2H3;3-7,9-12,14-25H,8,13,26H2,1-2H3;4-20H,21-22H2,1-3H3;5-16,19-20H,4,17-18H2,1-3H3;5-6,8-9,11-18,20-21H,4,7,10,19H2,1-3H3;2-18H,19-20H2,1H3;5*1H4/b41-35+;40-37+;2*36-30+;36-31+;33-29+;;;;;
InChIKeyVFWWKUNBBYKQLM-XXDFKGGVSA-N
MW3773.72 g/mol
LogP57.80
Rot. Bonds65

About [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(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)carbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]butylidene]amino] benzoate;[(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-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate;methane

[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(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)carbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]butylidene]amino] benzoate;[(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-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate;methane (PubChem CID 172916927) has the molecular formula C215H200BrCl5N10O21S8 and a molecular weight of 3773.72 g/mol. Its IUPAC name is [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(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)carbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]butylidene]amino] benzoate;[(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-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate;methane.

Molecular Properties

Compound Name[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(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)carbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]butylidene]amino] benzoate;[(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-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate;methane
PubChem CID172916927
Molecular FormulaC215H200BrCl5N10O21S8
Molecular Weight3773.72 g/mol
Exact Mass3767.03
IUPAC Name[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(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)carbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]butylidene]amino] benzoate;[(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-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate;methane
SMILESC.C.C.C.C.CC(=O)O/N=C(\CCCSc1ccc(Cl)cc1)c1ccc(N(c2ccccc2)c2ccc(C(=O)c3ccccc3C)cc2)cc1.CC(=O)O/N=C(\CCSc1ccc(Cl)cc1)C(=O)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.CC(C)(C)C(=O)O/N=C(\CCSc1ccc(Br)cc1)C(=O)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(CCCSc3ccc(Cl)cc3)=N/OC(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(CCCSc3ccc(Cl)cc3)=N/OC(C)=O)ccc21
InChIInChI=1S/C39H33ClN2O3S.C38H33ClN2O3S.C34H30BrNO4S2.C34H29ClN2O4S.C34H31ClN2O3S.C31H24ClNO4S2.5CH4/c1-3-42-36-21-15-28(24-33(36)34-25-29(16-22-37(34)42)38(43)32-13-8-7-10-26(32)2)35(41-45-39(44)27-11-5-4-6-12-27)14-9-23-46-31-19-17-30(40)18-20-31;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;1-34(2,3)33(39)40-36-30(21-22-41-27-19-13-26(35)14-20-27)32(38)25-11-17-29(18-12-25)42-28-15-9-24(10-16-28)31(37)23-7-5-4-6-8-23;1-4-37-31-15-9-23(33(39)27-8-6-5-7-21(27)2)19-28(31)29-20-24(10-16-32(29)37)34(40)30(36-41-22(3)38)17-18-42-26-13-11-25(35)12-14-26;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;1-21(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;;;;;/h4-8,10-13,15-22,24-25H,3,9,14,23H2,1-2H3;3-7,9-12,14-25H,8,13,26H2,1-2H3;4-20H,21-22H2,1-3H3;5-16,19-20H,4,17-18H2,1-3H3;5-6,8-9,11-18,20-21H,4,7,10,19H2,1-3H3;2-18H,19-20H2,1H3;5*1H4/b41-35+;40-37+;2*36-30+;36-31+;33-29+;;;;;
InChIKeyVFWWKUNBBYKQLM-XXDFKGGVSA-N
XLogP57.80
TPSA403.62 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds65
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003773.72
LogP ≤ 557.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(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)carbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]butylidene]amino] benzoate;[(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-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate;methane with MolForge

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Related Compounds

(2E)-4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-methoxyiminobutan-1-one;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-phenylmethoxyiminobutan-1-one
CID 172928466
CID 172941557
CID 172941557
[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] phenylsulfanylformate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-phenylmethoxyiminobutan-1-one
CID 172950139
(2E)-4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-hexoxyiminobutan-1-one;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] diethyl phosphate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] hexanoate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] phenylsulfanylformate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-phenylmethoxyiminobutan-1-one
CID 172963483
(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-hexoxyiminobutan-1-one;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] diethyl phosphate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] hexanoate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] phenylsulfanylformate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one
CID 172963955
[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one;(2E)-1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-2-methoxyiminobutan-1-one
CID 172965020
(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-hexoxyiminobutan-1-one;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] phenylsulfanylformate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one
CID 172965523
[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzoate
CID 57549499
[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] benzoate
CID 57549503
[[1-(6-Benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzoate
CID 76562828
[[4-(4-Chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] benzoate
CID 76562832
[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]butylidene]amino] benzoate
CID 131973127

Frequently Asked Questions

What is the IUPAC name of [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(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)carbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]butylidene]amino] benzoate;[(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-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate;methane?
The IUPAC name of [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(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)carbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]butylidene]amino] benzoate;[(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-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate;methane (CID 172916927) is [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(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)carbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]butylidene]amino] benzoate;[(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-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate;methane.
What is the SMILES notation for [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(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)carbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]butylidene]amino] benzoate;[(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-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate;methane?
The canonical SMILES for [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(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)carbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]butylidene]amino] benzoate;[(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-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate;methane is C.C.C.C.C.CC(=O)O/N=C(\CCCSc1ccc(Cl)cc1)c1ccc(N(c2ccccc2)c2ccc(C(=O)c3ccccc3C)cc2)cc1.CC(=O)O/N=C(\CCSc1ccc(Cl)cc1)C(=O)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.CC(C)(C)C(=O)O/N=C(\CCSc1ccc(Br)cc1)C(=O)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(CCCSc3ccc(Cl)cc3)=N/OC(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(CCCSc3ccc(Cl)cc3)=N/OC(C)=O)ccc21.
What is the InChIKey of [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(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)carbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]butylidene]amino] benzoate;[(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-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate;methane?
The InChIKey is VFWWKUNBBYKQLM-XXDFKGGVSA-N. The full InChI is InChI=1S/C39H33ClN2O3S.C38H33ClN2O3S.C34H30BrNO4S2.C34H29ClN2O4S.C34H31ClN2O3S.C31H24ClNO4S2.5CH4/c1-3-42-36-21-15-28(24-33(36)34-25-29(16-22-37(34)42)38(43)32-13-8-7-10-26(32)2)35(41-45-39(44)27-11-5-4-6-12-27)14-9-23-46-31-19-17-30(40)18-20-31;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;1-34(2,3)33(39)40-36-30(21-22-41-27-19-13-26(35)14-20-27)32(38)25-11-17-29(18-12-25)42-28-15-9-24(10-16-28)31(37)23-7-5-4-6-8-23;1-4-37-31-15-9-23(33(39)27-8-6-5-7-21(27)2)19-28(31)29-20-24(10-16-32(29)37)34(40)30(36-41-22(3)38)17-18-42-26-13-11-25(35)12-14-26;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;1-21(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;;;;;/h4-8,10-13,15-22,24-25H,3,9,14,23H2,1-2H3;3-7,9-12,14-25H,8,13,26H2,1-2H3;4-20H,21-22H2,1-3H3;5-16,19-20H,4,17-18H2,1-3H3;5-6,8-9,11-18,20-21H,4,7,10,19H2,1-3H3;2-18H,19-20H2,1H3;5*1H4/b41-35+;40-37+;2*36-30+;36-31+;33-29+;;;;;.
What are the key properties of [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(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)carbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]butylidene]amino] benzoate;[(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-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate;methane?
[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(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)carbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]butylidene]amino] benzoate;[(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-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate;methane has a molecular weight of 3773.72 g/mol, XLogP of 57.80, 65 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(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)carbazol-3-yl]butylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]butylidene]amino] benzoate;[(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-[4-(N-[4-(2-methylbenzoyl)phenyl]anilino)phenyl]butylidene]amino] acetate;methane is sourced from PubChem (CID 172916927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).