4-methyl-3-[(phenylmethyl)carbamothioylamino]benzoic acid

Systemtic Name: 4-methyl-3-[(phenylmethyl)carbamothioylamino]benzoic acid Openeye Name: 3-(benzylcarbamothioylamino)-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(benzylcarbamothioylamino)-4-methylbenzoic acid Traditional Name: 3-(benzylthiocarbamoylamino)-4-methyl-benzoic acid Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NCC2=CC=CC=C2

InChI

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