1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]ethanone CAS Name: 1-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[(3S,5S)-3,5-dimethylpiperidino]ethanone Formula: C16H23NOS MolecularWeight: 277.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSCC2=CC=CC=C2)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)CSCC2=CC=CC=C2)C

InChI

InChI=1S/C16H23NOS/c1-13-8-14(2)10-17(9-13)16(18)12-19-11-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3/t13-,14-/m0/s1