ethyl 3-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]butanoate

Systemtic Name: ethyl 3-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]butanoate Openeye Name: ethyl 3-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 3-[[[4-(2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]butanoate Traditional Name: 3-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]butyric acid ethyl ester Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC(=S)N1CCN(CC1)C2=CC=CC=N2

Isomeric SMILES

CCOC(=O)CC(C)NC(=S)N1CCN(CC1)C2=CC=CC=N2

InChI

InChI=1S/C16H24N4O2S/c1-3-22-15(21)12-13(2)18-16(23)20-10-8-19(9-11-20)14-6-4-5-7-17-14/h4-7,13H,3,8-12H2,1-2H3,(H,18,23)