methyl 3-benzamido-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-benzamido-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-benzamido-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-benzamido-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-benzamido-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H13N3O4S/c1-24-16(23)11-7-8-12-13(9-11)18-17(25)20(15(12)22)19-14(21)10-5-3-2-4-6-10/h2-9H,1H3,(H,18,25)(H,19,21)