1-(3,4-dimethoxyphenyl)-2-[5-methoxy-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-ethanone hydrobromide

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[5-methoxy-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-ethanone hydrobromide Openeye Name: 2-(1-benzyl-5-methoxy-benzimidazol-2-yl)sulfanyl-1-(3,4-dimethoxyphenyl)ethanone hydrobromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-[[5-methoxy-1-(phenylmethyl)-2-benzimidazolyl]thio]ethanone hydrobromide IUPAC Name: 2-(1-benzyl-5-methoxybenzimidazol-2-yl)sulfanyl-1-(3,4-dimethoxyphenyl)ethanone hydrobromide Traditional Name: 2-[(1-benzyl-5-methoxy-benzimidazol-2-yl)thio]-1-(3,4-dimethoxyphenyl)ethanone hydrobromide Formula: C25H25BrN2O4S MolecularWeight: 529.446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=N2)SCC(=O)C3=CC(=C(C=C3)OC)OC)CC4=CC=CC=C4.Br

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=N2)SCC(=O)C3=CC(=C(C=C3)OC)OC)CC4=CC=CC=C4.Br

InChI

InChI=1S/C25H24N2O4S.BrH/c1-29-19-10-11-21-20(14-19)26-25(27(21)15-17-7-5-4-6-8-17)32-16-22(28)18-9-12-23(30-2)24(13-18)31-3;/h4-14H,15-16H2,1-3H3;1H