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

Systemtic Name: N-[4-chloranyl-2-(trifluoromethyl)phenyl]-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C22H19ClF3N3O2S MolecularWeight: 481.91837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C22H19ClF3N3O2S/c23-13-9-10-18(16(11-13)22(24,25)26)27-19(30)12-32-21-28-17-8-4-3-7-15(17)20(31)29(21)14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6,12H2,(H,27,30)