ethyl 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(1-ethyl-5-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methylthiocarbamoylamino]benzoic acid ethyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S/c1-4-21-12(3)14(11-19-21)10-18-17(24)20-15-8-6-13(7-9-15)16(22)23-5-2/h6-9,11H,4-5,10H2,1-3H3,(H2,18,20,24)