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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CCC2=CC=C(N2C3=CC=C(C=C3)SC)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1CCCN(C1)C(=O)CCC2=CC=C(N2C3=CC=C(C=C3)SC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H32N2O2S/c1-20-5-4-18-28(19-20)27(30)17-11-23-10-16-26(21-6-12-24(31-2)13-7-21)29(23)22-8-14-25(32-3)15-9-22/h6-10,12-16,20H,4-5,11,17-19H2,1-3H3