methyl 4-[(1-methylpyrazol-3-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(1-methylpyrazol-3-yl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(1-methylpyrazole-3-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(1-methyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-methylpyrazole-3-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(1-methylpyrazole-3-carbonyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN1C=CC(=N1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H14N4O3S/c1-18-8-7-11(17-18)12(19)16-14(22)15-10-5-3-9(4-6-10)13(20)21-2/h3-8H,1-2H3,(H2,15,16,19,22)