2-(4-fluorophenyl)sulfanyl-N-hexyl-quinoline-4-carboxamide

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-N-hexyl-quinoline-4-carboxamide Openeye Name: 2-(4-fluorophenyl)sulfanyl-N-hexyl-quinoline-4-carboxamide CAS Name: 2-[(4-fluorophenyl)thio]-N-hexyl-4-quinolinecarboxamide IUPAC Name: 2-(4-fluorophenyl)sulfanyl-N-hexylquinoline-4-carboxamide Traditional Name: 2-[(4-fluorophenyl)thio]-N-hexyl-cinchoninamide Formula: C22H23FN2OS MolecularWeight: 382.494223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN2OS/c1-2-3-4-7-14-24-22(26)19-15-21(25-20-9-6-5-8-18(19)20)27-17-12-10-16(23)11-13-17/h5-6,8-13,15H,2-4,7,14H2,1H3,(H,24,26)