1-(3-methylpiperidin-1-yl)-2-(phenylmethylsulfanyl)propan-1-one

Systemtic Name: 1-(3-methylpiperidin-1-yl)-2-(phenylmethylsulfanyl)propan-1-one Openeye Name: 2-benzylsulfanyl-1-(3-methyl-1-piperidyl)propan-1-one CAS Name: 1-(3-methyl-1-piperidinyl)-2-(phenylmethylthio)-1-propanone IUPAC Name: 2-benzylsulfanyl-1-(3-methylpiperidin-1-yl)propan-1-one Traditional Name: 2-(benzylthio)-1-(3-methylpiperidino)propan-1-one Formula: C16H23NOS MolecularWeight: 277.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C(C)SCC2=CC=CC=C2

Isomeric SMILES

CC1CCCN(C1)C(=O)C(C)SCC2=CC=CC=C2

InChI

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