2-methyl-1-(4-methylsulfanylphenyl)-2-[4-(2-sulfanylethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-(4-methylsulfanylphenyl)-2-[4-(2-sulfanylethyl)piperidin-1-yl]propan-1-one Openeye Name: 2-methyl-1-(4-methylsulfanylphenyl)-2-[4-(2-sulfanylethyl)-1-piperidyl]propan-1-one CAS Name: 2-[4-(2-mercaptoethyl)-1-piperidinyl]-2-methyl-1-[4-(methylthio)phenyl]-1-propanone IUPAC Name: 2-methyl-1-(4-methylsulfanylphenyl)-2-[4-(2-sulfanylethyl)piperidin-1-yl]propan-1-one Traditional Name: 2-[4-(2-mercaptoethyl)piperidino]-2-methyl-1-[4-(methylthio)phenyl]propan-1-one Formula: C18H27NOS2 MolecularWeight: 337.54308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC=C(C=C1)SC)N2CCC(CC2)CCS

Isomeric SMILES

CC(C)(C(=O)C1=CC=C(C=C1)SC)N2CCC(CC2)CCS

InChI

InChI=1S/C18H27NOS2/c1-18(2,19-11-8-14(9-12-19)10-13-21)17(20)15-4-6-16(22-3)7-5-15/h4-7,14,21H,8-13H2,1-3H3