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

Systemtic Name: 2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(1-cyclohexyl-2-benzimidazolyl)thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(1-cyclohexylbenzimidazol-2-yl)thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=CC=CC=C4N3C5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=CC=CC=C4N3C5CCCCC5)OC

InChI

InChI=1S/C26H31N3O3S/c1-31-23-14-18-12-13-28(16-19(18)15-24(23)32-2)25(30)17-33-26-27-21-10-6-7-11-22(21)29(26)20-8-4-3-5-9-20/h6-7,10-11,14-15,20H,3-5,8-9,12-13,16-17H2,1-2H3