1-[3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[3-(2-methylsulfanylbenzoyl)-1-piperidyl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[3-[[2-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[3-(2-methylsulfanylbenzoyl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[3-[2-(methylthio)benzoyl]piperidino]-2-(2-pyrimidylthio)ethanone Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H21N3O2S2/c1-25-16-8-3-2-7-15(16)18(24)14-6-4-11-22(12-14)17(23)13-26-19-20-9-5-10-21-19/h2-3,5,7-10,14H,4,6,11-13H2,1H3