3-[1-(2-methylsulfanylphenyl)carbonylpiperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[1-(2-methylsulfanylphenyl)carbonylpiperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[1-(2-methylsulfanylbenzoyl)-4-piperidyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[1-[[2-(methylthio)phenyl]-oxomethyl]-4-piperidinyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[1-(2-methylsulfanylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[1-[2-(methylthio)benzoyl]-4-piperidyl]-1-pyrrolidino-propan-1-one Formula: C20H28N2O2S MolecularWeight: 360.51352

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CCC(CC2)CCC(=O)N3CCCC3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CCC(CC2)CCC(=O)N3CCCC3

InChI

InChI=1S/C20H28N2O2S/c1-25-18-7-3-2-6-17(18)20(24)22-14-10-16(11-15-22)8-9-19(23)21-12-4-5-13-21/h2-3,6-7,16H,4-5,8-15H2,1H3