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

Systemtic Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylsulfanyl-propan-1-one Openeye Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylsulfanyl-propan-1-one CAS Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(phenylthio)-1-propanone IUPAC Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylsulfanylpropan-1-one Traditional Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(phenylthio)propan-1-one Formula: C24H25NO3S2 MolecularWeight: 439.5902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC(=C(C=C2C1C3=CC=CS3)OC)OC)SC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCC2=CC(=C(C=C2C1C3=CC=CS3)OC)OC)SC4=CC=CC=C4

InChI

InChI=1S/C24H25NO3S2/c1-16(30-18-8-5-4-6-9-18)24(26)25-12-11-17-14-20(27-2)21(28-3)15-19(17)23(25)22-10-7-13-29-22/h4-10,13-16,23H,11-12H2,1-3H3