N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(2,5-dimethoxyphenyl)propanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(2,5-dimethoxyphenyl)propanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(2,5-dimethoxyphenyl)propanamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(2,5-dimethoxyphenyl)propanamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(2,5-dimethoxyphenyl)propanamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(2,5-dimethoxyphenyl)propionamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C22H27N3O3S/c1-27-16-9-10-20(28-2)15(14-16)8-11-21(26)23-19(12-13-29-3)22-24-17-6-4-5-7-18(17)25-22/h4-7,9-10,14,19H,8,11-13H2,1-3H3,(H,23,26)(H,24,25)