ethyl 4-[(1-ethylpyrazol-4-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(1-ethylpyrazol-4-yl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(1-ethyl-4-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(1-ethylpyrazole-4-carbonyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3S/c1-3-20-10-12(9-17-20)14(21)19-16(24)18-13-7-5-11(6-8-13)15(22)23-4-2/h5-10H,3-4H2,1-2H3,(H2,18,19,21,24)