methyl 3-[(2-cyanophenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(2-cyanophenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(2-cyanophenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(2-cyanoanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-cyanophenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(2-cyanophenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C#N

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C#N

InChI

InChI=1S/C17H13N3O3S/c1-23-16(22)12-7-4-6-11(9-12)15(21)20-17(24)19-14-8-3-2-5-13(14)10-18/h2-9H,1H3,(H2,19,20,21,24)