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

Systemtic Name: 2-(2-bromanyl-4-ethyl-phenoxy)-N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]acetamide CAS Name: 2-(2-bromo-4-ethylphenoxy)-N-[[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-bromo-4-ethylphenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]acetamide Traditional Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]thiocarbamoyl]acetamide Formula: C16H18BrN5O3S MolecularWeight: 440.31482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)C2=NNC(=C2)C)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)C2=NNC(=C2)C)Br

InChI

InChI=1S/C16H18BrN5O3S/c1-3-10-4-5-13(11(17)7-10)25-8-14(23)18-16(26)22-21-15(24)12-6-9(2)19-20-12/h4-7H,3,8H2,1-2H3,(H,19,20)(H,21,24)(H2,18,22,23,26)