N-[(3-methylsulfanylphenyl)methyl]-6-oxidanylidene-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

Systemtic Name: N-[(3-methylsulfanylphenyl)methyl]-6-oxidanylidene-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide Openeye Name: N-[(3-methylsulfanylphenyl)methyl]-6-oxo-1-[2-(2-pyridyl)ethyl]piperidine-3-carboxamide CAS Name: N-[[3-(methylthio)phenyl]methyl]-6-oxo-1-[2-(2-pyridinyl)ethyl]-3-piperidinecarboxamide IUPAC Name: N-[(3-methylsulfanylphenyl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide Traditional Name: 6-keto-N-[3-(methylthio)benzyl]-1-[2-(2-pyridyl)ethyl]nipecotamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CNC(=O)C2CCC(=O)N(C2)CCC3=CC=CC=N3

Isomeric SMILES

CSC1=CC=CC(=C1)CNC(=O)C2CCC(=O)N(C2)CCC3=CC=CC=N3

InChI

InChI=1S/C21H25N3O2S/c1-27-19-7-4-5-16(13-19)14-23-21(26)17-8-9-20(25)24(15-17)12-10-18-6-2-3-11-22-18/h2-7,11,13,17H,8-10,12,14-15H2,1H3,(H,23,26)