1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Openeye Name: 1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidyl]-4-(4-methylsulfanylphenyl)butane-1,4-dione CAS Name: 1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidinyl]-4-[4-(methylthio)phenyl]butane-1,4-dione IUPAC Name: 1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Traditional Name: 1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidino]-4-[4-(methylthio)phenyl]butane-1,4-dione Formula: C27H34N2O4S MolecularWeight: 482.63486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCN(CC3)C(=O)CCC(=O)C4=CC=C(C=C4)SC)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3CCN(CC3)C(=O)CCC(=O)C4=CC=C(C=C4)SC)OC

InChI

InChI=1S/C27H34N2O4S/c1-32-25-16-20-10-13-29(18-21(20)17-26(25)33-2)22-11-14-28(15-12-22)27(31)9-8-24(30)19-4-6-23(34-3)7-5-19/h4-7,16-17,22H,8-15,18H2,1-3H3