N-(3-methylbutyl)-2-(4-methylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-(3-methylbutyl)-2-(4-methylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-isopentyl-2-(p-tolylsulfanyl)quinoline-4-carboxamide CAS Name: N-(3-methylbutyl)-2-[(4-methylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-(3-methylbutyl)-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-isoamyl-2-(p-tolylthio)cinchoninamide Formula: C22H24N2OS MolecularWeight: 364.50376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC(C)C

InChI

InChI=1S/C22H24N2OS/c1-15(2)12-13-23-22(25)19-14-21(24-20-7-5-4-6-18(19)20)26-17-10-8-16(3)9-11-17/h4-11,14-15H,12-13H2,1-3H3,(H,23,25)