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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide Traditional Name: N-homoveratryl-2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CN2C3=CC=CC=C3N=C2CSC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CN2C3=CC=CC=C3N=C2CSC)OC

InChI

InChI=1S/C21H25N3O3S/c1-26-18-9-8-15(12-19(18)27-2)10-11-22-21(25)13-24-17-7-5-4-6-16(17)23-20(24)14-28-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,25)