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

Systemtic Name: 1-[1-methyl-4-(2-phenylsulfanylphenyl)piperidin-4-yl]propan-1-one Openeye Name: 1-[1-methyl-4-(2-phenylsulfanylphenyl)-4-piperidyl]propan-1-one CAS Name: 1-[1-methyl-4-[2-(phenylthio)phenyl]-4-piperidinyl]-1-propanone IUPAC Name: 1-[1-methyl-4-(2-phenylsulfanylphenyl)piperidin-4-yl]propan-1-one Traditional Name: 1-[1-methyl-4-[2-(phenylthio)phenyl]-4-piperidyl]propan-1-one Formula: C21H25NOS MolecularWeight: 339.4943

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(CCN(CC1)C)C2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1(CCN(CC1)C)C2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C21H25NOS/c1-3-20(23)21(13-15-22(2)16-14-21)18-11-7-8-12-19(18)24-17-9-5-4-6-10-17/h4-12H,3,13-16H2,1-2H3