N-(3,4-dimethoxyphenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(3,4-dimethoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(3,4-dimethoxyphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)OC

InChI

InChI=1S/C20H19N3O4S/c1-4-9-23-19(25)14-7-5-12(10-15(14)22-20(23)28)18(24)21-13-6-8-16(26-2)17(11-13)27-3/h4-8,10-11H,1,9H2,2-3H3,(H,21,24)(H,22,28)