ethyl 4-[[(Z)-(2-oxidanyl-1-pyridin-2-yl-ethylidene)amino]carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[(Z)-(2-oxidanyl-1-pyridin-2-yl-ethylidene)amino]carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[(Z)-[2-hydroxy-1-(2-pyridyl)ethylidene]amino]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[(2Z)-2-[2-hydroxy-1-(2-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(Z)-(2-hydroxy-1-pyridin-2-ylethylidene)amino]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[(Z)-[2-hydroxy-1-(2-pyridyl)ethylidene]amino]thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C15H21N5O3S MolecularWeight: 351.42394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)N/N=C(\CO)/C2=CC=CC=N2

InChI

InChI=1S/C15H21N5O3S/c1-2-23-15(22)20-9-7-19(8-10-20)14(24)18-17-13(11-21)12-5-3-4-6-16-12/h3-6,21H,2,7-11H2,1H3,(H,18,24)/b17-13+