1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-[(1-methyl-2-imidazolyl)thio]ethanone IUPAC Name: 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone Traditional Name: 1-[(2S,6S)-2,6-dimethylpiperidino]-2-[(1-methylimidazol-2-yl)thio]ethanone Formula: C13H21N3OS MolecularWeight: 267.39034

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NC=CN2C)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)CSC2=NC=CN2C)C

InChI

InChI=1S/C13H21N3OS/c1-10-5-4-6-11(2)16(10)12(17)9-18-13-14-7-8-15(13)3/h7-8,10-11H,4-6,9H2,1-3H3/t10-,11-/m0/s1