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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C20H21N3O3S/c1-25-17-9-13-7-8-23(11-14(13)10-18(17)26-2)19(24)12-27-20-21-15-5-3-4-6-16(15)22-20/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,21,22)