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

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one CAS Name: 4-(1H-benzimidazol-2-ylthio)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-butanone IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Traditional Name: 4-(1H-benzimidazol-2-ylthio)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCCSC3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCCSC3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C22H25N3O3S/c1-27-19-12-15-9-10-25(14-16(15)13-20(19)28-2)21(26)8-5-11-29-22-23-17-6-3-4-7-18(17)24-22/h3-4,6-7,12-13H,5,8-11,14H2,1-2H3,(H,23,24)