2-[2,4-bis(fluoranyl)phenyl]sulfanyl-N-butyl-quinoline-4-carboxamide

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]sulfanyl-N-butyl-quinoline-4-carboxamide Openeye Name: N-butyl-2-(2,4-difluorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-butyl-2-[(2,4-difluorophenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-butyl-2-(2,4-difluorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-butyl-2-[(2,4-difluorophenyl)thio]cinchoninamide Formula: C20H18F2N2OS MolecularWeight: 372.431526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=C(C=C(C=C3)F)F

Isomeric SMILES

CCCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C20H18F2N2OS/c1-2-3-10-23-20(25)15-12-19(24-17-7-5-4-6-14(15)17)26-18-9-8-13(21)11-16(18)22/h4-9,11-12H,2-3,10H2,1H3,(H,23,25)