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

Systemtic Name: methyl 4-[(1-ethylpyrazol-4-yl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(1-ethyl-4-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(1-ethylpyrazole-4-carbonyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C15H16N4O3S MolecularWeight: 332.37754

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O3S/c1-3-19-9-11(8-16-19)13(20)18-15(23)17-12-6-4-10(5-7-12)14(21)22-2/h4-9H,3H2,1-2H3,(H2,17,18,20,23)