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

Systemtic Name: 2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-fluoranyl-2-nitro-phenyl)ethanamide Openeye Name: N-(4-fluoro-2-nitro-phenyl)-2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]-N-(4-fluoro-2-nitrophenyl)acetamide IUPAC Name: 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluoro-2-nitrophenyl)acetamide Traditional Name: N-(4-fluoro-2-nitro-phenyl)-2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]acetamide Formula: C20H19FN4O4S MolecularWeight: 430.452663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19FN4O4S/c1-3-12(2)24-19(27)14-6-4-5-7-15(14)23-20(24)30-11-18(26)22-16-9-8-13(21)10-17(16)25(28)29/h4-10,12H,3,11H2,1-2H3,(H,22,26)