ethyl 4-[[(4-iodanyl-1-methyl-pyrazol-3-yl)carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(4-iodanyl-1-methyl-pyrazol-3-yl)carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[[(4-iodo-1-methyl-3-pyrazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-iodo-1-methylpyrazole-3-carbonyl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C15H16IN5O3S MolecularWeight: 473.28871

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=NN(C=C2I)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=NN(C=C2I)C

InChI

InChI=1S/C15H16IN5O3S/c1-3-24-14(23)9-4-6-10(7-5-9)17-15(25)19-18-13(22)12-11(16)8-21(2)20-12/h4-8H,3H2,1-2H3,(H,18,22)(H2,17,19,25)