2-methylsulfanyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide

Systemtic Name: 2-methylsulfanyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide Openeye Name: 2-methylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]propanamide CAS Name: 2-(methylthio)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]propanamide IUPAC Name: 2-methylsulfanyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]propanamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-2-(methylthio)propionamide Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CN=C(C=C1)N2CCNC(=O)C2)SC

Isomeric SMILES

CC(C(=O)NC1=CN=C(C=C1)N2CCNC(=O)C2)SC

InChI

InChI=1S/C13H18N4O2S/c1-9(20-2)13(19)16-10-3-4-11(15-7-10)17-6-5-14-12(18)8-17/h3-4,7,9H,5-6,8H2,1-2H3,(H,14,18)(H,16,19)