N-(3,4-dimethoxyphenyl)-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-(3,4-dimethoxyphenyl)-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-(3,4-dimethoxyphenyl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-(3,4-dimethoxyphenyl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-(3,4-dimethoxyphenyl)-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)OC

InChI

InChI=1S/C19H19N3O4S/c1-25-15-8-7-12(11-16(15)26-2)20-17(23)9-10-22-18(24)13-5-3-4-6-14(13)21-19(22)27/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,27)