ethyl 4-[(5-bromanylpyridin-3-yl)carbonylcarbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(5-bromanylpyridin-3-yl)carbonylcarbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(5-bromonicotinoyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C14H17BrN4O3S MolecularWeight: 401.27878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN4O3S/c1-2-22-14(21)19-5-3-18(4-6-19)13(23)17-12(20)10-7-11(15)9-16-8-10/h7-9H,2-6H2,1H3,(H,17,20,23)