1-(3-methyl-4-methylsulfanyl-phenyl)-2-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 1-(3-methyl-4-methylsulfanyl-phenyl)-2-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-(4-benzyl-1-piperidyl)-1-(3-methyl-4-methylsulfanyl-phenyl)ethanone CAS Name: 1-[3-methyl-4-(methylthio)phenyl]-2-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-(4-benzylpiperidin-1-yl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone Traditional Name: 2-(4-benzylpiperidino)-1-[3-methyl-4-(methylthio)phenyl]ethanone Formula: C22H27NOS MolecularWeight: 353.52088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)CN2CCC(CC2)CC3=CC=CC=C3)SC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)CN2CCC(CC2)CC3=CC=CC=C3)SC

InChI

InChI=1S/C22H27NOS/c1-17-14-20(8-9-22(17)25-2)21(24)16-23-12-10-19(11-13-23)15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15-16H2,1-2H3