N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3,4,5-trimethoxyphenyl)acetamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C22H27N3O4S/c1-27-18-11-14(12-19(28-2)21(18)29-3)13-20(26)23-17(9-10-30-4)22-24-15-7-5-6-8-16(15)25-22/h5-8,11-12,17H,9-10,13H2,1-4H3,(H,23,26)(H,24,25)