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

Systemtic Name: 1-[(3S)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-(4-methylsulfanylbenzoyl)-1-piperidyl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[(3S)-3-[[4-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[(3S)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[(3S)-3-[4-(methylthio)benzoyl]piperidino]-2-(2-pyrimidylthio)ethanone Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)[C@H]2CCCN(C2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H21N3O2S2/c1-25-16-7-5-14(6-8-16)18(24)15-4-2-11-22(12-15)17(23)13-26-19-20-9-3-10-21-19/h3,5-10,15H,2,4,11-13H2,1H3/t15-/m0/s1