N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanamide Openeye Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(phenylmethylthio)-1-benzimidazolyl]acetamide IUPAC Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide Traditional Name: 2-[2-(benzylthio)benzimidazol-1-yl]-N-homoveratryl-acetamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4)OC

InChI

InChI=1S/C26H27N3O3S/c1-31-23-13-12-19(16-24(23)32-2)14-15-27-25(30)17-29-22-11-7-6-10-21(22)28-26(29)33-18-20-8-4-3-5-9-20/h3-13,16H,14-15,17-18H2,1-2H3,(H,27,30)