N-[4-(3-methylphenyl)phenyl]-1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-4-carboxamide

Systemtic Name: N-[4-(3-methylphenyl)phenyl]-1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-4-carboxamide Openeye Name: N-[4-(m-tolyl)phenyl]-1-[2-(4-pyridylsulfanyl)acetyl]piperidine-4-carboxamide CAS Name: N-[4-(3-methylphenyl)phenyl]-1-[1-oxo-2-(pyridin-4-ylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(3-methylphenyl)phenyl]-1-(2-pyridin-4-ylsulfanylacetyl)piperidine-4-carboxamide Traditional Name: N-[4-(m-tolyl)phenyl]-1-[2-(4-pyridylthio)acetyl]isonipecotamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)CSC4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)CSC4=CC=NC=C4

InChI

InChI=1S/C26H27N3O2S/c1-19-3-2-4-22(17-19)20-5-7-23(8-6-20)28-26(31)21-11-15-29(16-12-21)25(30)18-32-24-9-13-27-14-10-24/h2-10,13-14,17,21H,11-12,15-16,18H2,1H3,(H,28,31)