1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylsulfanyl-propan-1-one

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylsulfanyl-propan-1-one Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylsulfanyl-propan-1-one CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenylthio)-1-propanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylsulfanylpropan-1-one Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenylthio)propan-1-one Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCSC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCSC3=CC=CC=C3)OC

InChI

InChI=1S/C20H23NO3S/c1-23-18-12-15-8-10-21(14-16(15)13-19(18)24-2)20(22)9-11-25-17-6-4-3-5-7-17/h3-7,12-13H,8-11,14H2,1-2H3