methyl 3-[(4-methylphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(4-methylphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-(p-tolylcarbamothioylcarbamoyl)benzoate CAS Name: 3-[[[(4-methylanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-methylphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-(p-tolylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c1-11-6-8-14(9-7-11)18-17(23)19-15(20)12-4-3-5-13(10-12)16(21)22-2/h3-10H,1-2H3,(H2,18,19,20,23)