N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(6-methoxy-1-benzofuran-3-yl)ethanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(6-methoxy-1-benzofuran-3-yl)ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(6-methoxybenzofuran-3-yl)acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(6-methoxy-3-benzofuranyl)acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(6-methoxybenzofuran-3-yl)acetamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CO2)CC(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CO2)CC(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H23N3O3S/c1-27-15-7-8-16-14(13-28-20(16)12-15)11-21(26)23-19(9-10-29-2)22-24-17-5-3-4-6-18(17)25-22/h3-8,12-13,19H,9-11H2,1-2H3,(H,23,26)(H,24,25)/t19-/m0/s1