ethyl 4-[2-(4-bromanylpyrazol-1-yl)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-bromanylpyrazol-1-yl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-(4-bromopyrazol-1-yl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(4-bromo-1-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-bromopyrazol-1-yl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(4-bromopyrazol-1-yl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C15H17BrN4O2S MolecularWeight: 397.29008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCN2C=C(C=N2)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCN2C=C(C=N2)Br

InChI

InChI=1S/C15H17BrN4O2S/c1-2-22-14(21)11-3-5-13(6-4-11)19-15(23)17-7-8-20-10-12(16)9-18-20/h3-6,9-10H,2,7-8H2,1H3,(H2,17,19,23)