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

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one CAS Name: 4-(1H-benzimidazol-2-ylthio)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1-butanone IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Traditional Name: 4-(1H-benzimidazol-2-ylthio)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCCSC3=NC4=CC=CC=C4N3)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCCSC3=NC4=CC=CC=C4N3)C5=CC=CS5)OC

InChI

InChI=1S/C26H27N3O3S2/c1-31-21-15-17-11-12-29(25(23-9-5-13-33-23)18(17)16-22(21)32-2)24(30)10-6-14-34-26-27-19-7-3-4-8-20(19)28-26/h3-5,7-9,13,15-16,25H,6,10-12,14H2,1-2H3,(H,27,28)