ethyl 4-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(1,5-dimethyl-3-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(1,5-dimethylpyrazol-3-yl)methylthiocarbamoylamino]benzoic acid ethyl ester Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=NN(C(=C2)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=NN(C(=C2)C)C

InChI

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