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

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]ethanone Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=CC=CC=C2N=C1SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

COCCN1C2=CC=CC=C2N=C1SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C23H27N3O4S/c1-28-11-10-26-19-7-5-4-6-18(19)24-23(26)31-15-22(27)25-9-8-16-12-20(29-2)21(30-3)13-17(16)14-25/h4-7,12-13H,8-11,14-15H2,1-3H3