N-(3,5-dimethoxyphenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(3,5-dimethoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3,5-dimethoxyphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3,5-dimethoxyphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(3,5-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=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)OC

Isomeric SMILES

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

InChI

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