N-cyclooctyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-cyclooctyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-cyclooctyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-cyclooctyl-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-cyclooctyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-cyclooctyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C19H22F3N3OS MolecularWeight: 397.45769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C19H22F3N3OS/c20-19(21,22)18-24-15-11-7-6-10-14(15)17(25-18)27-12-16(26)23-13-8-4-2-1-3-5-9-13/h6-7,10-11,13H,1-5,8-9,12H2,(H,23,26)