butyl 4-[(4-iodanyl-2-methyl-pyrazol-3-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(4-iodanyl-2-methyl-pyrazol-3-yl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(4-iodo-2-methyl-pyrazole-3-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-iodo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-iodo-2-methylpyrazole-3-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-iodo-2-methyl-pyrazole-3-carbonyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C17H19IN4O3S MolecularWeight: 486.32723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=NN2C)I

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=NN2C)I

InChI

InChI=1S/C17H19IN4O3S/c1-3-4-9-25-16(24)11-5-7-12(8-6-11)20-17(26)21-15(23)14-13(18)10-19-22(14)2/h5-8,10H,3-4,9H2,1-2H3,(H2,20,21,23,26)