1-[(3S)-3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-(2-methylsulfanylbenzoyl)-1-piperidyl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[(3S)-3-[[2-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-[(3S)-3-[2-(methylthio)benzoyl]piperidino]-2-(4-pyridylthio)ethanone Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)CSC3=CC=NC=C3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)[C@H]2CCCN(C2)C(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C20H22N2O2S2/c1-25-18-7-3-2-6-17(18)20(24)15-5-4-12-22(13-15)19(23)14-26-16-8-10-21-11-9-16/h2-3,6-11,15H,4-5,12-14H2,1H3/t15-/m0/s1