4-[[(4-bromophenyl)methyl-[(2-methylphenyl)carbamothioyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-bromophenyl)methyl-[(2-methylphenyl)carbamothioyl]amino]methyl]benzoic acid Openeye Name: 4-[[(4-bromophenyl)methyl-(o-tolylcarbamothioyl)amino]methyl]benzoic acid CAS Name: 4-[[(4-bromophenyl)methyl-[(2-methylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-bromophenyl)methyl-[(2-methylphenyl)carbamothioyl]amino]methyl]benzoic acid Traditional Name: 4-[[(4-bromobenzyl)-(o-tolylthiocarbamoyl)amino]methyl]benzoic acid Formula: C23H21BrN2O2S MolecularWeight: 469.39404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H21BrN2O2S/c1-16-4-2-3-5-21(16)25-23(29)26(15-18-8-12-20(24)13-9-18)14-17-6-10-19(11-7-17)22(27)28/h2-13H,14-15H2,1H3,(H,25,29)(H,27,28)