N-(2,3-dimethyl-6-nitro-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,3-dimethyl-6-nitro-phenyl)propanamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(2,3-dimethyl-6-nitro-phenyl)propionamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC=C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC=C)C

InChI

InChI=1S/C22H22N4O4S/c1-5-12-25-21(28)16-8-6-7-9-17(16)23-22(25)31-15(4)20(27)24-19-14(3)13(2)10-11-18(19)26(29)30/h5-11,15H,1,12H2,2-4H3,(H,24,27)