ethyl 4-[[(E)-1-pyrimidin-2-ylethylideneamino]carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[(E)-1-pyrimidin-2-ylethylideneamino]carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[(E)-1-pyrimidin-2-ylethylideneamino]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[(2E)-2-[1-(2-pyrimidinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-1-pyrimidin-2-ylethylideneamino]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[(E)-1-(2-pyrimidyl)ethylideneamino]thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C14H20N6O2S MolecularWeight: 336.4126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N6O2S/c1-3-22-14(21)20-9-7-19(8-10-20)13(23)18-17-11(2)12-15-5-4-6-16-12/h4-6H,3,7-10H2,1-2H3,(H,18,23)/b17-11+