N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-methoxy-2-methyl-4-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-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5S/c1-4-9-24-20(27)14-7-5-6-8-15(14)23-21(24)31-12-19(26)22-16-11-18(30-3)17(25(28)29)10-13(16)2/h4-8,10-11H,1,9,12H2,2-3H3,(H,22,26)