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

Systemtic Name: 4-[[(4-bromophenyl)methyl-[(2-methylphenyl)carbamothioyl]amino]methyl]benzoate Openeye Name: 4-[[(4-bromophenyl)methyl-(o-tolylcarbamothioyl)amino]methyl]benzoate CAS Name: 4-[[(4-bromophenyl)methyl-[(2-methylanilino)-sulfanylidenemethyl]amino]methyl]benzoate IUPAC Name: 4-[[(4-bromophenyl)methyl-[(2-methylphenyl)carbamothioyl]amino]methyl]benzoate Traditional Name: 4-[[(4-bromobenzyl)-(o-tolylthiocarbamoyl)amino]methyl]benzoate Formula: C23H20BrN2O2S- MolecularWeight: 468.3861

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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)/p-1