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

Systemtic Name: N-butyl-2-(4-methylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-butyl-2-(p-tolylsulfanyl)quinoline-4-carboxamide CAS Name: N-butyl-2-[(4-methylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-butyl-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-butyl-2-(p-tolylthio)cinchoninamide Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2OS/c1-3-4-13-22-21(24)18-14-20(23-19-8-6-5-7-17(18)19)25-16-11-9-15(2)10-12-16/h5-12,14H,3-4,13H2,1-2H3,(H,22,24)