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

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 2-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 2-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 2-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C20H18ClFN4O4S MolecularWeight: 464.897723

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClFN4O4S/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/h4-7,9-11H,3,8H2,1-2H3,(H,23,27)