N-(3-butylsulfanylpropyl)-2-[[3-(trifluoromethyl)phenyl]amino]quinoline-4-carboxamide

Systemtic Name: N-(3-butylsulfanylpropyl)-2-[[3-(trifluoromethyl)phenyl]amino]quinoline-4-carboxamide Openeye Name: N-(3-butylsulfanylpropyl)-2-[3-(trifluoromethyl)anilino]quinoline-4-carboxamide CAS Name: N-[3-(butylthio)propyl]-2-[3-(trifluoromethyl)anilino]-4-quinolinecarboxamide IUPAC Name: N-(3-butylsulfanylpropyl)-2-[3-(trifluoromethyl)anilino]quinoline-4-carboxamide Traditional Name: N-[3-(butylthio)propyl]-2-[3-(trifluoromethyl)anilino]cinchoninamide Formula: C24H26F3N3OS MolecularWeight: 461.54295

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCCCSCCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C24H26F3N3OS/c1-2-3-13-32-14-7-12-28-23(31)20-16-22(30-21-11-5-4-10-19(20)21)29-18-9-6-8-17(15-18)24(25,26)27/h4-6,8-11,15-16H,2-3,7,12-14H2,1H3,(H,28,31)(H,29,30)