N-[3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propanoyl]piperidine-4-carboxamide

Systemtic Name: N-[3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propanoyl]piperidine-4-carboxamide Openeye Name: N-[3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propanoyl]piperidine-4-carboxamide CAS Name: N-[3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]-2-pyrrolyl]-1-oxopropyl]-4-piperidinecarboxamide IUPAC Name: N-[3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propanoyl]piperidine-4-carboxamide Traditional Name: N-[3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]pyrrol-2-yl]propanoyl]isonipecotamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)SC)CCC(=O)NC(=O)C4CCNCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)SC)CCC(=O)NC(=O)C4CCNCC4

InChI

InChI=1S/C27H31N3O3S/c1-33-23-9-3-19(4-10-23)25-13-7-22(30(25)21-5-11-24(34-2)12-6-21)8-14-26(31)29-27(32)20-15-17-28-18-16-20/h3-7,9-13,20,28H,8,14-18H2,1-2H3,(H,29,31,32)