4-[[(4-chloranyl-3-methyl-phenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(4-chloranyl-3-methyl-phenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(4-chloro-3-methyl-phenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[(4-chloro-3-methylanilino)-sulfanylidenemethyl]-[(4-chlorophenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(4-chloro-3-methylphenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(4-chlorobenzyl)-[(4-chloro-3-methyl-phenyl)thiocarbamoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C23H26Cl2N2O2S MolecularWeight: 465.43574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H26Cl2N2O2S/c1-15-12-20(10-11-21(15)25)26-23(30)27(14-17-4-8-19(24)9-5-17)13-16-2-6-18(7-3-16)22(28)29/h4-5,8-12,16,18H,2-3,6-7,13-14H2,1H3,(H,26,30)(H,28,29)