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

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(diphenylmethyl)sulfanyl-ethanone Openeye Name: 2-benzhydrylsulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(diphenylmethyl)thio]ethanone IUPAC Name: 2-benzhydrylsulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(benzhydrylthio)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C26H27NO3S MolecularWeight: 433.56248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H27NO3S/c1-29-23-15-21-13-14-27(17-22(21)16-24(23)30-2)25(28)18-31-26(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15-16,26H,13-14,17-18H2,1-2H3