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

Systemtic Name: butyl 4-[(1-ethylpyrazol-4-yl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(1-ethyl-4-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(1-ethylpyrazole-4-carbonyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CN(N=C2)CC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CN(N=C2)CC

InChI

InChI=1S/C18H22N4O3S/c1-3-5-10-25-17(24)13-6-8-15(9-7-13)20-18(26)21-16(23)14-11-19-22(4-2)12-14/h6-9,11-12H,3-5,10H2,1-2H3,(H2,20,21,23,26)