2-butylsulfanyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]ethanamide

Systemtic Name: 2-butylsulfanyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]ethanamide Openeye Name: 2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]acetamide CAS Name: 2-(butylthio)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]acetamide IUPAC Name: 2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]acetamide Traditional Name: 2-(butylthio)-N-[6-(3-ketopiperazino)-3-pyridyl]acetamide Formula: C15H22N4O2S MolecularWeight: 322.42578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NC1=CN=C(C=C1)N2CCNC(=O)C2

Isomeric SMILES

CCCCSCC(=O)NC1=CN=C(C=C1)N2CCNC(=O)C2

InChI

InChI=1S/C15H22N4O2S/c1-2-3-8-22-11-15(21)18-12-4-5-13(17-9-12)19-7-6-16-14(20)10-19/h4-5,9H,2-3,6-8,10-11H2,1H3,(H,16,20)(H,18,21)