ethyl 4-(pyridin-3-ylcarbonylcarbamothioyl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(pyridin-3-ylcarbonylcarbamothioyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(pyridine-3-carbonylcarbamothioyl)piperazine-1-carboxylate CAS Name: 4-[[[oxo(3-pyridinyl)methyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(pyridine-3-carbonylcarbamothioyl)piperazine-1-carboxylate Traditional Name: 4-(nicotinoylthiocarbamoyl)piperazine-1-carboxylic acid ethyl ester Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O3S/c1-2-21-14(20)18-8-6-17(7-9-18)13(22)16-12(19)11-4-3-5-15-10-11/h3-5,10H,2,6-9H2,1H3,(H,16,19,22)