1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-methyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-methylbenzimidazol-2-yl)thio]ethanone Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C21H23N3O3S/c1-23-17-7-5-4-6-16(17)22-21(23)28-13-20(25)24-9-8-14-10-18(26-2)19(27-3)11-15(14)12-24/h4-7,10-11H,8-9,12-13H2,1-3H3