1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]ethanone Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N4CCC5=CC(=C(C=C5C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N4CCC5=CC(=C(C=C5C4)OC)OC

InChI

InChI=1S/C27H27N3O4S/c1-32-21-10-8-20(9-11-21)30-23-7-5-4-6-22(23)28-27(30)35-17-26(31)29-13-12-18-14-24(33-2)25(34-3)15-19(18)16-29/h4-11,14-15H,12-13,16-17H2,1-3H3