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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(3,4-dimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(3,4-dimethoxyphenyl)cinchoninamide Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(CCSC)C4=NC5=CC=CC=C5N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N[C@@H](CCSC)C4=NC5=CC=CC=C5N4)OC

InChI

InChI=1S/C29H28N4O3S/c1-35-26-13-12-18(16-27(26)36-2)25-17-20(19-8-4-5-9-21(19)30-25)29(34)33-24(14-15-37-3)28-31-22-10-6-7-11-23(22)32-28/h4-13,16-17,24H,14-15H2,1-3H3,(H,31,32)(H,33,34)/t24-/m0/s1