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

Systemtic Name: N-(4-methyl-3-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-(4-methyl-3-nitro-phenyl)propanamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4S/c1-4-11-24-20(27)16-7-5-6-8-17(16)23-21(24)30-14(3)19(26)22-15-10-9-13(2)18(12-15)25(28)29/h4-10,12,14H,1,11H2,2-3H3,(H,22,26)