N-(3-methylsulfanylpropyl)-2-[3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-2-yl]ethanamide

Systemtic Name: N-(3-methylsulfanylpropyl)-2-[3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-2-yl]ethanamide Openeye Name: N-(3-methylsulfanylpropyl)-2-[3-oxo-1-(3-pyridylmethyl)piperazin-2-yl]acetamide CAS Name: N-[3-(methylthio)propyl]-2-[3-oxo-1-(3-pyridinylmethyl)-2-piperazinyl]acetamide IUPAC Name: N-(3-methylsulfanylpropyl)-2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]acetamide Traditional Name: 2-[3-keto-1-(3-pyridylmethyl)piperazin-2-yl]-N-[3-(methylthio)propyl]acetamide Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=O)CC1C(=O)NCCN1CC2=CN=CC=C2

Isomeric SMILES

CSCCCNC(=O)CC1C(=O)NCCN1CC2=CN=CC=C2

InChI

InChI=1S/C16H24N4O2S/c1-23-9-3-6-18-15(21)10-14-16(22)19-7-8-20(14)12-13-4-2-5-17-11-13/h2,4-5,11,14H,3,6-10,12H2,1H3,(H,18,21)(H,19,22)