N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]thio]-4-quinolinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]sulfanylquinoline-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-2-[[2-(trifluoromethyl)phenyl]thio]cinchoninamide Formula: C24H16F4N2OS MolecularWeight: 456.455253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)SC3=CC=CC=C3C(F)(F)F)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SC3=CC=CC=C3C(F)(F)F)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H16F4N2OS/c25-16-11-9-15(10-12-16)14-29-23(31)18-13-22(30-20-7-3-1-5-17(18)20)32-21-8-4-2-6-19(21)24(26,27)28/h1-13H,14H2,(H,29,31)