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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C22H23BrFN3O2S MolecularWeight: 492.404323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C22H23BrFN3O2S/c1-2-3-4-7-12-27-21(29)16-8-5-6-9-18(16)26-22(27)30-14-20(28)25-19-11-10-15(23)13-17(19)24/h5-6,8-11,13H,2-4,7,12,14H2,1H3,(H,25,28)