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

Systemtic Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanyl-butan-1-one Openeye Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenylsulfanyl-butan-1-one CAS Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylthio)-1-butanone IUPAC Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanylbutan-1-one Traditional Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-(phenylthio)butan-1-one Formula: C25H27NO3S2 MolecularWeight: 453.61678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCCSC3=CC=CC=C3)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCCSC3=CC=CC=C3)C4=CC=CS4)OC

InChI

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