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

Systemtic Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenethylsulfanyl-ethanone Openeye Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenethylsulfanyl-ethanone CAS Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(phenethylthio)ethanone IUPAC Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenethylsulfanylethanone Traditional Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(phenethylthio)ethanone Formula: C25H27NO3S2 MolecularWeight: 453.61678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSCCC3=CC=CC=C3)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSCCC3=CC=CC=C3)C4=CC=CS4)OC

InChI

InChI=1S/C25H27NO3S2/c1-28-21-15-19-10-12-26(24(27)17-30-14-11-18-7-4-3-5-8-18)25(23-9-6-13-31-23)20(19)16-22(21)29-2/h3-9,13,15-16,25H,10-12,14,17H2,1-2H3