ethyl 4-[(1-ethylpyrazol-3-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(1-ethylpyrazol-3-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(1-ethylpyrazol-3-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(1-ethyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-ethylpyrazol-3-yl)carbamothioylamino]benzoate Traditional Name: 4-[(1-ethylpyrazol-3-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O2S/c1-3-19-10-9-13(18-19)17-15(22)16-12-7-5-11(6-8-12)14(20)21-4-2/h5-10H,3-4H2,1-2H3,(H2,16,17,18,22)