N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-benzo[e][1]benzofuran-1-yl-ethanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-benzo[e][1]benzofuran-1-yl-ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-benzo[e]benzofuran-1-yl-acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(1-benzo[e]benzofuranyl)acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-benzo[e][1]benzofuran-1-ylacetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-benzo[e]benzofuran-1-yl-acetamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CC3=COC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)CC3=COC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C25H23N3O2S/c1-31-13-12-21(25-27-19-8-4-5-9-20(19)28-25)26-23(29)14-17-15-30-22-11-10-16-6-2-3-7-18(16)24(17)22/h2-11,15,21H,12-14H2,1H3,(H,26,29)(H,27,28)/t21-/m0/s1