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

Systemtic Name: N-butyl-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-butyl-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-butyl-2-[[2-(trifluoromethyl)phenyl]thio]-4-quinolinecarboxamide IUPAC Name: N-butyl-2-[2-(trifluoromethyl)phenyl]sulfanylquinoline-4-carboxamide Traditional Name: N-butyl-2-[[2-(trifluoromethyl)phenyl]thio]cinchoninamide Formula: C21H19F3N2OS MolecularWeight: 404.44857

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H19F3N2OS/c1-2-3-12-25-20(27)15-13-19(26-17-10-6-4-8-14(15)17)28-18-11-7-5-9-16(18)21(22,23)24/h4-11,13H,2-3,12H2,1H3,(H,25,27)