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

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]ethanone Formula: C22H25N3O4S MolecularWeight: 427.5166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C22H25N3O4S/c1-4-29-16-5-6-17-18(11-16)24-22(23-17)30-13-21(26)25-8-7-14-9-19(27-2)20(28-3)10-15(14)12-25/h5-6,9-11H,4,7-8,12-13H2,1-3H3,(H,23,24)