3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propanethioamide

Systemtic Name: 3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propanethioamide Openeye Name: 3-oxo-3-[4-(2-pyridyl)piperazin-1-yl]propanethioamide CAS Name: 3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propanethioamide IUPAC Name: 3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanethioamide Traditional Name: 3-keto-3-[4-(2-pyridyl)piperazino]thiopropionamide Formula: C12H16N4OS MolecularWeight: 264.34664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CC(=S)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CC(=S)N

InChI

InChI=1S/C12H16N4OS/c13-10(18)9-12(17)16-7-5-15(6-8-16)11-3-1-2-4-14-11/h1-4H,5-9H2,(H2,13,18)