N-(3-chloranyl-4-fluoranyl-phenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C20H19ClFN3O2S MolecularWeight: 419.900163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H19ClFN3O2S/c1-12(2)10-25-19(27)14-5-3-4-6-17(14)24-20(25)28-11-18(26)23-13-7-8-16(22)15(21)9-13/h3-9,12H,10-11H2,1-2H3,(H,23,26)