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

Systemtic Name: ethyl 4-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(1-ethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(1-ethylpyrazol-4-yl)methylthiocarbamoylamino]benzoic acid ethyl ester Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2S/c1-3-20-11-12(10-18-20)9-17-16(23)19-14-7-5-13(6-8-14)15(21)22-4-2/h5-8,10-11H,3-4,9H2,1-2H3,(H2,17,19,23)