N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-(3-methoxypropyl)-2-[[2-(trifluoromethyl)phenyl]thio]-4-quinolinecarboxamide IUPAC Name: N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenyl]sulfanylquinoline-4-carboxamide Traditional Name: N-(3-methoxypropyl)-2-[[2-(trifluoromethyl)phenyl]thio]cinchoninamide Formula: C21H19F3N2O2S MolecularWeight: 420.44797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N2O2S/c1-28-12-6-11-25-20(27)15-13-19(26-17-9-4-2-7-14(15)17)29-18-10-5-3-8-16(18)21(22,23)24/h2-5,7-10,13H,6,11-12H2,1H3,(H,25,27)