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

Systemtic Name: 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[[1-(4-bromophenyl)-2-imidazolyl]thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[[1-(4-bromophenyl)imidazol-2-yl]thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC=CN3C4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC=CN3C4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C22H22BrN3O3S/c1-28-19-11-15-7-9-25(13-16(15)12-20(19)29-2)21(27)14-30-22-24-8-10-26(22)18-5-3-17(23)4-6-18/h3-6,8,10-12H,7,9,13-14H2,1-2H3