methyl 3-[(4-oxidanylidene-1H-quinazolin-2-yl)carbothioylamino]benzoate

Systemtic Name: methyl 3-[(4-oxidanylidene-1H-quinazolin-2-yl)carbothioylamino]benzoate Openeye Name: methyl 3-[(4-oxo-1H-quinazoline-2-carbothioyl)amino]benzoate CAS Name: 3-[[(4-oxo-1H-quinazolin-2-yl)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-oxo-1H-quinazoline-2-carbothioyl)amino]benzoate Traditional Name: 3-[(4-keto-1H-quinazoline-2-carbothioyl)amino]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)NC(=S)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2

InChI

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