4-[[(4-chlorophenyl)methyl-[(4-ethylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(4-chlorophenyl)methyl-[(4-ethylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(4-chlorophenyl)methyl-[(4-ethylphenyl)carbamothioyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(4-chlorophenyl)methyl-[(4-ethylanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(4-chlorophenyl)methyl-[(4-ethylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(4-chlorobenzyl)-[(4-ethylphenyl)thiocarbamoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C24H29ClN2O2S MolecularWeight: 445.01726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H29ClN2O2S/c1-2-17-7-13-22(14-8-17)26-24(30)27(16-19-5-11-21(25)12-6-19)15-18-3-9-20(10-4-18)23(28)29/h5-8,11-14,18,20H,2-4,9-10,15-16H2,1H3,(H,26,30)(H,28,29)