2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)propanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C20H16ClFN4O4S MolecularWeight: 462.881843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C20H16ClFN4O4S/c1-3-8-25-19(28)14-6-4-12(21)9-16(14)24-20(25)31-11(2)18(27)23-13-5-7-15(22)17(10-13)26(29)30/h3-7,9-11H,1,8H2,2H3,(H,23,27)