4-[[(4-chlorophenyl)methyl-[(4-ethylphenyl)carbamothioyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-chlorophenyl)methyl-[(4-ethylphenyl)carbamothioyl]amino]methyl]benzoic acid Openeye Name: 4-[[(4-chlorophenyl)methyl-[(4-ethylphenyl)carbamothioyl]amino]methyl]benzoic acid CAS Name: 4-[[(4-chlorophenyl)methyl-[(4-ethylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-chlorophenyl)methyl-[(4-ethylphenyl)carbamothioyl]amino]methyl]benzoic acid Traditional Name: 4-[[(4-chlorobenzyl)-[(4-ethylphenyl)thiocarbamoyl]amino]methyl]benzoic acid Formula: C24H23ClN2O2S MolecularWeight: 438.96962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H23ClN2O2S/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/h3-14H,2,15-16H2,1H3,(H,26,30)(H,28,29)