(diphenylmethyl) 4-[methyl-(2-oxidanylidene-4-sulfanylidene-1H-pyridin-3-yl)carbamoyl]benzoate

Systemtic Name: (diphenylmethyl) 4-[methyl-(2-oxidanylidene-4-sulfanylidene-1H-pyridin-3-yl)carbamoyl]benzoate Openeye Name: benzhydryl 4-[methyl-(2-oxo-4-thioxo-1H-pyridin-3-yl)carbamoyl]benzoate CAS Name: 4-[[methyl-(2-oxo-4-sulfanylidene-1H-pyridin-3-yl)amino]-oxomethyl]benzoic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 4-[methyl-(2-oxo-4-sulfanylidene-1H-pyridin-3-yl)carbamoyl]benzoate Traditional Name: 4-[(2-keto-4-thioxo-1H-pyridin-3-yl)-methyl-carbamoyl]benzoic acid benzhydryl ester Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1C(=S)C=CNC1=O)C(=O)C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C1C(=S)C=CNC1=O)C(=O)C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H22N2O4S/c1-29(23-22(34)16-17-28-25(23)30)26(31)20-12-14-21(15-13-20)27(32)33-24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-17,23-24H,1H3,(H,28,30)