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

Systemtic Name: N-hexyl-2-(4-methylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-hexyl-2-(p-tolylsulfanyl)quinoline-4-carboxamide CAS Name: N-hexyl-2-[(4-methylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-hexyl-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-hexyl-2-(p-tolylthio)cinchoninamide Formula: C23H26N2OS MolecularWeight: 378.53034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2OS/c1-3-4-5-8-15-24-23(26)20-16-22(25-21-10-7-6-9-19(20)21)27-18-13-11-17(2)12-14-18/h6-7,9-14,16H,3-5,8,15H2,1-2H3,(H,24,26)