2-(5-chloranyl-1-methyl-benzimidazol-2-yl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-(5-chloranyl-1-methyl-benzimidazol-2-yl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(5-chloro-1-methyl-benzimidazol-2-yl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(5-chloro-1-methyl-2-benzimidazolyl)thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(5-chloro-1-methyl-benzimidazol-2-yl)thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C21H22ClN3O3S/c1-24-17-5-4-15(22)10-16(17)23-21(24)29-12-20(26)25-7-6-13-8-18(27-2)19(28-3)9-14(13)11-25/h4-5,8-10H,6-7,11-12H2,1-3H3