1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one

Systemtic Name: 1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one Openeye Name: 1-[2-(2-imidazol-1-ylethyl)-1-piperidyl]-3-(4-methylsulfanylphenyl)propan-1-one CAS Name: 1-[2-[2-(1-imidazolyl)ethyl]-1-piperidinyl]-3-[4-(methylthio)phenyl]-1-propanone IUPAC Name: 1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one Traditional Name: 1-[2-(2-imidazol-1-ylethyl)piperidino]-3-[4-(methylthio)phenyl]propan-1-one Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CCC(=O)N2CCCCC2CCN3C=CN=C3

Isomeric SMILES

CSC1=CC=C(C=C1)CCC(=O)N2CCCCC2CCN3C=CN=C3

InChI

InChI=1S/C20H27N3OS/c1-25-19-8-5-17(6-9-19)7-10-20(24)23-13-3-2-4-18(23)11-14-22-15-12-21-16-22/h5-6,8-9,12,15-16,18H,2-4,7,10-11,13-14H2,1H3