ethyl 4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamothioylamino]benzoate Traditional Name: 4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S/c1-5-21-12(4)15(11(3)20-21)19-17(24)18-14-9-7-13(8-10-14)16(22)23-6-2/h7-10H,5-6H2,1-4H3,(H2,18,19,24)