ethyl 4-[(1-methylpyrazol-3-yl)carbonylcarbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(1-methylpyrazol-3-yl)carbonylcarbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(1-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[(1-methyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(1-methylpyrazole-3-carbonyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C13H19N5O3S MolecularWeight: 325.38666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5O3S/c1-3-21-13(20)18-8-6-17(7-9-18)12(22)14-11(19)10-4-5-16(2)15-10/h4-5H,3,6-9H2,1-2H3,(H,14,19,22)