4-[[(4-chlorophenyl)methyl-[(3-methylphenyl)carbamothioyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-chlorophenyl)methyl-[(3-methylphenyl)carbamothioyl]amino]methyl]benzoic acid Openeye Name: 4-[[(4-chlorophenyl)methyl-(m-tolylcarbamothioyl)amino]methyl]benzoic acid CAS Name: 4-[[(4-chlorophenyl)methyl-[(3-methylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-chlorophenyl)methyl-[(3-methylphenyl)carbamothioyl]amino]methyl]benzoic acid Traditional Name: 4-[[(4-chlorobenzyl)-(m-tolylthiocarbamoyl)amino]methyl]benzoic acid Formula: C23H21ClN2O2S MolecularWeight: 424.94304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H21ClN2O2S/c1-16-3-2-4-21(13-16)25-23(29)26(15-18-7-11-20(24)12-8-18)14-17-5-9-19(10-6-17)22(27)28/h2-13H,14-15H2,1H3,(H,25,29)(H,27,28)