N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-methylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(p-tolyl)quinoline-4-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(p-tolyl)cinchoninamide Formula: C28H26N4OS MolecularWeight: 466.59724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(CCSC)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(CCSC)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C28H26N4OS/c1-18-11-13-19(14-12-18)26-17-21(20-7-3-4-8-22(20)29-26)28(33)32-25(15-16-34-2)27-30-23-9-5-6-10-24(23)31-27/h3-14,17,25H,15-16H2,1-2H3,(H,30,31)(H,32,33)