4-[[(4-chlorophenyl)methyl-[(2-ethylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(4-chlorophenyl)methyl-[(2-ethylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(4-chlorophenyl)methyl-[(2-ethylphenyl)carbamothioyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(4-chlorophenyl)methyl-[(2-ethylanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(4-chlorophenyl)methyl-[(2-ethylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(4-chlorobenzyl)-[(2-ethylphenyl)thiocarbamoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C24H29ClN2O2S MolecularWeight: 445.01726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H29ClN2O2S/c1-2-19-5-3-4-6-22(19)26-24(30)27(16-18-9-13-21(25)14-10-18)15-17-7-11-20(12-8-17)23(28)29/h3-6,9-10,13-14,17,20H,2,7-8,11-12,15-16H2,1H3,(H,26,30)(H,28,29)