N-(2-fluoranyl-5-nitro-phenyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-fluoranyl-5-nitro-phenyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-fluoro-5-nitro-phenyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-fluoro-5-nitrophenyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-fluoro-5-nitrophenyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-fluoro-5-nitro-phenyl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C22H23FN4O4S MolecularWeight: 458.505823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F

InChI

InChI=1S/C22H23FN4O4S/c1-2-3-4-7-12-26-21(29)16-8-5-6-9-18(16)25-22(26)32-14-20(28)24-19-13-15(27(30)31)10-11-17(19)23/h5-6,8-11,13H,2-4,7,12,14H2,1H3,(H,24,28)