N-(4-methoxy-2-nitro-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5S/c1-3-10-23-19(26)14-6-4-5-7-15(14)22-20(23)30-12-18(25)21-16-9-8-13(29-2)11-17(16)24(27)28/h3-9,11H,1,10,12H2,2H3,(H,21,25)