N-butan-2-yl-2-(4-methylphenyl)sulfanyl-quinoline-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)NC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)C

InChI

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