2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide

Systemtic Name: 2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide Openeye Name: 2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide CAS Name: 2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]-N-(2,3,4-trifluorophenyl)acetamide IUPAC Name: 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide Traditional Name: 2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]-N-(2,3,4-trifluorophenyl)acetamide Formula: C20H18F3N3O2S MolecularWeight: 421.43603

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)F)F

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C20H18F3N3O2S/c1-3-11(2)26-19(28)12-6-4-5-7-14(12)25-20(26)29-10-16(27)24-15-9-8-13(21)17(22)18(15)23/h4-9,11H,3,10H2,1-2H3,(H,24,27)