methyl 4-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-bromo-1-ethylpyrazole-3-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C15H15BrN4O3S MolecularWeight: 411.2736

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C15H15BrN4O3S/c1-3-20-8-11(16)12(19-20)13(21)18-15(24)17-10-6-4-9(5-7-10)14(22)23-2/h4-8H,3H2,1-2H3,(H2,17,18,21,24)