N-(3-methylsulfanylphenyl)-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-1-(3-pyrrol-1-yl-2-pyridyl)piperidine-4-carboxamide CAS Name: N-[3-(methylthio)phenyl]-1-[3-(1-pyrrolyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-1-(3-pyrrol-1-yl-2-pyridyl)isonipecotamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C3=C(C=CC=N3)N4C=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C3=C(C=CC=N3)N4C=CC=C4

InChI

InChI=1S/C22H24N4OS/c1-28-19-7-4-6-18(16-19)24-22(27)17-9-14-26(15-10-17)21-20(8-5-11-23-21)25-12-2-3-13-25/h2-8,11-13,16-17H,9-10,14-15H2,1H3,(H,24,27)