2-[[methyl-(phenylmethyl)carbamothioyl]amino]benzoic acid

Systemtic Name: 2-[[methyl-(phenylmethyl)carbamothioyl]amino]benzoic acid Openeye Name: 2-[[benzyl(methyl)carbamothioyl]amino]benzoic acid CAS Name: 2-[[[methyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[[benzyl(methyl)carbamothioyl]amino]benzoic acid Traditional Name: 2-[[benzyl(methyl)thiocarbamoyl]amino]benzoic acid Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=S)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=S)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H16N2O2S/c1-18(11-12-7-3-2-4-8-12)16(21)17-14-10-6-5-9-13(14)15(19)20/h2-10H,11H2,1H3,(H,17,21)(H,19,20)