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

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4-pyridyl)cinchoninamide Formula: C26H23N5OS MolecularWeight: 453.55872

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C26H23N5OS/c1-33-15-12-23(25-29-21-8-4-5-9-22(21)30-25)31-26(32)19-16-24(17-10-13-27-14-11-17)28-20-7-3-2-6-18(19)20/h2-11,13-14,16,23H,12,15H2,1H3,(H,29,30)(H,31,32)