2-(4-bromanylphenoxy)-N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]thiocarbamoyl]acetamide Formula: C14H14BrN5O3S MolecularWeight: 412.26166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H14BrN5O3S/c1-8-6-11(18-17-8)13(22)19-20-14(24)16-12(21)7-23-10-4-2-9(15)3-5-10/h2-6H,7H2,1H3,(H,17,18)(H,19,22)(H2,16,20,21,24)