2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanethione;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[(2S,5R)-2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanethione;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanethione

C165H204Cl3F21N18O6S6 — CID 162132775

IUPAC2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanethione;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[(2S,5R)-2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanethione;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanethione
SMILESCc1cc(NC2CCC(OCC(=S)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1Cl.Cc1ccc(N2CCN(C(=S)C(C)(C)OC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=S)COC3CCC(N(C)c4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2C[C@H](C)N(C(=S)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)C[C@H]2C)cc1.Cc1ccc(NC2CCC(OCC(=S)N3CCN(c4ccc(Cl)c(C(F)(F)F)c4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=S)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/2C29H38F3N3OS.C28H36F3N3OS.C27H30ClF6N3OS.C27H31F6N3OS.C25H31Cl2N3OS/c1-19-5-11-25(12-6-19)34-16-22(4)35(17-21(34)3)28(37)18-36-26-13-9-23(10-14-26)33-24-8-7-20(2)27(15-24)29(30,31)32;1-20-5-11-24(12-6-20)34-15-17-35(18-16-34)27(37)28(3,4)36-25-13-9-22(10-14-25)33-23-8-7-21(2)26(19-23)29(30,31)32;1-20-4-7-23(8-5-20)33-14-16-34(17-15-33)27(36)19-35-25-12-10-22(11-13-25)32(3)24-9-6-21(2)26(18-24)28(29,30)31;1-17-2-3-19(14-22(17)26(29,30)31)35-18-4-7-21(8-5-18)38-16-25(39)37-12-10-36(11-13-37)20-6-9-24(28)23(15-20)27(32,33)34;1-18-5-6-21(16-24(18)27(31,32)33)34-20-7-9-23(10-8-20)37-17-25(38)36-13-11-35(12-14-36)22-4-2-3-19(15-22)26(28,29)30;1-18-16-21(6-11-24(18)27)28-20-4-9-23(10-5-20)31-17-25(32)30-14-12-29(13-15-30)22-7-2-19(26)3-8-22/h5-8,11-12,15,21-23,26,33H,9-10,13-14,16-18H2,1-4H3;5-8,11-12,19,22,25,33H,9-10,13-18H2,1-4H3;4-9,18,22,25H,10-17,19H2,1-3H3;2-3,6,9,14-15,18,21,35H,4-5,7-8,10-13,16H2,1H3;2-6,15-16,20,23,34H,7-14,17H2,1H3;2-3,6-8,11,16,20,23,28H,4-5,9-10,12-15,17H2,1H3/t21-,22+,23?,26?;;;;;/m1...../s1
InChIKeyZIWODXWMCYATCS-UEKJRFKCSA-N
MW3233.29 g/mol
LogP40.90
Rot. Bonds36

About 2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanethione;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[(2S,5R)-2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanethione;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanethione

2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanethione;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[(2S,5R)-2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanethione;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanethione (PubChem CID 162132775) has the molecular formula C165H204Cl3F21N18O6S6 and a molecular weight of 3233.29 g/mol. Its IUPAC name is 2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanethione;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[(2S,5R)-2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanethione;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanethione.

Molecular Properties

Compound Name2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanethione;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[(2S,5R)-2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanethione;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanethione
PubChem CID162132775
Molecular FormulaC165H204Cl3F21N18O6S6
Molecular Weight3233.29 g/mol
Exact Mass3229.33
IUPAC Name2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanethione;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[(2S,5R)-2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanethione;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanethione
SMILESCc1cc(NC2CCC(OCC(=S)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1Cl.Cc1ccc(N2CCN(C(=S)C(C)(C)OC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=S)COC3CCC(N(C)c4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2C[C@H](C)N(C(=S)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)C[C@H]2C)cc1.Cc1ccc(NC2CCC(OCC(=S)N3CCN(c4ccc(Cl)c(C(F)(F)F)c4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=S)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/2C29H38F3N3OS.C28H36F3N3OS.C27H30ClF6N3OS.C27H31F6N3OS.C25H31Cl2N3OS/c1-19-5-11-25(12-6-19)34-16-22(4)35(17-21(34)3)28(37)18-36-26-13-9-23(10-14-26)33-24-8-7-20(2)27(15-24)29(30,31)32;1-20-5-11-24(12-6-20)34-15-17-35(18-16-34)27(37)28(3,4)36-25-13-9-22(10-14-25)33-23-8-7-21(2)26(19-23)29(30,31)32;1-20-4-7-23(8-5-20)33-14-16-34(17-15-33)27(36)19-35-25-12-10-22(11-13-25)32(3)24-9-6-21(2)26(18-24)28(29,30)31;1-17-2-3-19(14-22(17)26(29,30)31)35-18-4-7-21(8-5-18)38-16-25(39)37-12-10-36(11-13-37)20-6-9-24(28)23(15-20)27(32,33)34;1-18-5-6-21(16-24(18)27(31,32)33)34-20-7-9-23(10-8-20)37-17-25(38)36-13-11-35(12-14-36)22-4-2-3-19(15-22)26(28,29)30;1-18-16-21(6-11-24(18)27)28-20-4-9-23(10-5-20)31-17-25(32)30-14-12-29(13-15-30)22-7-2-19(26)3-8-22/h5-8,11-12,15,21-23,26,33H,9-10,13-14,16-18H2,1-4H3;5-8,11-12,19,22,25,33H,9-10,13-18H2,1-4H3;4-9,18,22,25H,10-17,19H2,1-3H3;2-3,6,9,14-15,18,21,35H,4-5,7-8,10-13,16H2,1H3;2-6,15-16,20,23,34H,7-14,17H2,1H3;2-3,6-8,11,16,20,23,28H,4-5,9-10,12-15,17H2,1H3/t21-,22+,23?,26?;;;;;/m1...../s1
InChIKeyZIWODXWMCYATCS-UEKJRFKCSA-N
XLogP40.90
TPSA157.65 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003233.29
LogP ≤ 540.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanethione;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[(2S,5R)-2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanethione;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanethione with MolForge

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Related Compounds

1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanethione
CID 58117993
1-[(2S,5R)-2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-nitroso-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione
CID 88983969
2-[4-[4-chloro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 58118347
2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione
CID 58118171
1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-(trifluoromethoxy)-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione
CID 58118029
1-[2-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone
CID 58118251
2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 58118367
4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one;4-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-methyl-4-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 158685477
4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]-2-methylbenzonitrile
CID 58118319
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone
CID 58118077
2-[4-[4-amino-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 143820551
2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 58118449

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanethione;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[(2S,5R)-2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanethione;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanethione?
The IUPAC name of 2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanethione;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[(2S,5R)-2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanethione;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanethione (CID 162132775) is 2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanethione;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[(2S,5R)-2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanethione;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanethione.
What is the SMILES notation for 2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanethione;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[(2S,5R)-2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanethione;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanethione?
The canonical SMILES for 2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanethione;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[(2S,5R)-2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanethione;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanethione is Cc1cc(NC2CCC(OCC(=S)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1Cl.Cc1ccc(N2CCN(C(=S)C(C)(C)OC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=S)COC3CCC(N(C)c4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2C[C@H](C)N(C(=S)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)C[C@H]2C)cc1.Cc1ccc(NC2CCC(OCC(=S)N3CCN(c4ccc(Cl)c(C(F)(F)F)c4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=S)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanethione;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[(2S,5R)-2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanethione;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanethione?
The InChIKey is ZIWODXWMCYATCS-UEKJRFKCSA-N. The full InChI is InChI=1S/2C29H38F3N3OS.C28H36F3N3OS.C27H30ClF6N3OS.C27H31F6N3OS.C25H31Cl2N3OS/c1-19-5-11-25(12-6-19)34-16-22(4)35(17-21(34)3)28(37)18-36-26-13-9-23(10-14-26)33-24-8-7-20(2)27(15-24)29(30,31)32;1-20-5-11-24(12-6-20)34-15-17-35(18-16-34)27(37)28(3,4)36-25-13-9-22(10-14-25)33-23-8-7-21(2)26(19-23)29(30,31)32;1-20-4-7-23(8-5-20)33-14-16-34(17-15-33)27(36)19-35-25-12-10-22(11-13-25)32(3)24-9-6-21(2)26(18-24)28(29,30)31;1-17-2-3-19(14-22(17)26(29,30)31)35-18-4-7-21(8-5-18)38-16-25(39)37-12-10-36(11-13-37)20-6-9-24(28)23(15-20)27(32,33)34;1-18-5-6-21(16-24(18)27(31,32)33)34-20-7-9-23(10-8-20)37-17-25(38)36-13-11-35(12-14-36)22-4-2-3-19(15-22)26(28,29)30;1-18-16-21(6-11-24(18)27)28-20-4-9-23(10-5-20)31-17-25(32)30-14-12-29(13-15-30)22-7-2-19(26)3-8-22/h5-8,11-12,15,21-23,26,33H,9-10,13-14,16-18H2,1-4H3;5-8,11-12,19,22,25,33H,9-10,13-18H2,1-4H3;4-9,18,22,25H,10-17,19H2,1-3H3;2-3,6,9,14-15,18,21,35H,4-5,7-8,10-13,16H2,1H3;2-6,15-16,20,23,34H,7-14,17H2,1H3;2-3,6-8,11,16,20,23,28H,4-5,9-10,12-15,17H2,1H3/t21-,22+,23?,26?;;;;;/m1...../s1.
What are the key properties of 2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanethione;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[(2S,5R)-2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanethione;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanethione?
2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanethione;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[(2S,5R)-2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanethione;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanethione has a molecular weight of 3233.29 g/mol, XLogP of 40.90, 36 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanethione;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[(2S,5R)-2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanethione;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanethione is sourced from PubChem (CID 162132775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).