2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]ethanone Formula: C24H25N3O2S2 MolecularWeight: 451.6042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C(=O)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C(=O)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H25N3O2S2/c28-22(16-30-24-25-20-7-3-4-8-21(20)31-24)26-12-10-18(11-13-26)23(29)27-14-9-17-5-1-2-6-19(17)15-27/h1-8,18H,9-16H2