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

Systemtic Name: 3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one Openeye Name: 3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]-1-(4-methyl-1-piperidyl)propan-1-one CAS Name: 3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]-2-pyrrolyl]-1-(4-methyl-1-piperidinyl)-1-propanone IUPAC Name: 3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one Traditional Name: 3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]pyrrol-2-yl]-1-(4-methylpiperidino)propan-1-one Formula: C27H32N2O2S MolecularWeight: 448.62018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CCC2=CC=C(N2C3=CC=C(C=C3)SC)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1CCN(CC1)C(=O)CCC2=CC=C(N2C3=CC=C(C=C3)SC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H32N2O2S/c1-20-16-18-28(19-17-20)27(30)15-9-23-8-14-26(21-4-10-24(31-2)11-5-21)29(23)22-6-12-25(32-3)13-7-22/h4-8,10-14,20H,9,15-19H2,1-3H3