N'-(3-methylsulfanylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]ethanediamide

Systemtic Name: N'-(3-methylsulfanylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]ethanediamide Openeye Name: N'-(3-methylsulfanylphenyl)-N-[[1-(2-pyridylmethyl)-4-piperidyl]methyl]oxamide CAS Name: N'-[3-(methylthio)phenyl]-N-[[1-(2-pyridinylmethyl)-4-piperidinyl]methyl]oxamide IUPAC Name: N'-(3-methylsulfanylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide Traditional Name: N'-[3-(methylthio)phenyl]-N-[[1-(2-pyridylmethyl)-4-piperidyl]methyl]oxamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C(=O)NCC2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C(=O)NCC2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C21H26N4O2S/c1-28-19-7-4-6-17(13-19)24-21(27)20(26)23-14-16-8-11-25(12-9-16)15-18-5-2-3-10-22-18/h2-7,10,13,16H,8-9,11-12,14-15H2,1H3,(H,23,26)(H,24,27)