ethyl 4-[(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylcarbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylcarbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(4-bromo-1-methyl-pyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[(4-bromo-1-methyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-bromo-1-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(4-bromo-1-methyl-pyrazole-3-carbonyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C13H18BrN5O3S MolecularWeight: 404.28272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2=NN(C=C2Br)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2=NN(C=C2Br)C

InChI

InChI=1S/C13H18BrN5O3S/c1-3-22-13(21)19-6-4-18(5-7-19)12(23)15-11(20)10-9(14)8-17(2)16-10/h8H,3-7H2,1-2H3,(H,15,20,23)