N-quinolin-5-yl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: N-quinolin-5-yl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: N-(5-quinolyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: N-(5-quinolinyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: N-quinolin-5-yl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: N-(5-quinolyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propionamide Formula: C21H15F3N4OS MolecularWeight: 428.43021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C21H15F3N4OS/c1-12(18(29)26-16-10-4-9-15-13(16)7-5-11-25-15)30-19-14-6-2-3-8-17(14)27-20(28-19)21(22,23)24/h2-12H,1H3,(H,26,29)