1-(3,5-dimethylpiperidin-1-yl)-3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propan-1-one

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propan-1-one Openeye Name: 1-(3,5-dimethyl-1-piperidyl)-3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propan-1-one CAS Name: 1-(3,5-dimethyl-1-piperidinyl)-3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]-2-pyrrolyl]-1-propanone IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)-3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propan-1-one Traditional Name: 1-(3,5-dimethylpiperidino)-3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]pyrrol-2-yl]propan-1-one Formula: C28H34N2O2S MolecularWeight: 462.64676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CCC2=CC=C(N2C3=CC=C(C=C3)SC)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CCC2=CC=C(N2C3=CC=C(C=C3)SC)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C28H34N2O2S/c1-20-17-21(2)19-29(18-20)28(31)16-10-24-9-15-27(22-5-11-25(32-3)12-6-22)30(24)23-7-13-26(33-4)14-8-23/h5-9,11-15,20-21H,10,16-19H2,1-4H3