methyl 3-[(phenylmethyl)carbamothioylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=CC=C2

InChI

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