3-iodanyl-4-methoxy-N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methoxy-N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-iodo-4-methoxy-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide CAS Name: 3-iodo-4-methoxy-N-[[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methoxy-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methoxy-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]thiocarbamoyl]benzamide Formula: C14H14IN5O3S MolecularWeight: 459.26213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OC)I

Isomeric SMILES

CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OC)I

InChI

InChI=1S/C14H14IN5O3S/c1-7-5-10(18-17-7)13(22)19-20-14(24)16-12(21)8-3-4-11(23-2)9(15)6-8/h3-6H,1-2H3,(H,17,18)(H,19,22)(H2,16,20,21,24)