methyl 3-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC)C#N)C

InChI

InChI=1S/C18H16N4O4S/c1-10-7-11(2)22(16(24)14(10)9-19)21-18(27)20-15(23)12-5-4-6-13(8-12)17(25)26-3/h4-8H,1-3H3,(H2,20,21,23,27)