propan-2-yl 4-[(4-ethoxycarbonylphenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[(4-ethoxycarbonylphenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[(4-ethoxycarbonylphenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-ethoxycarbonylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[(4-carbethoxyphenyl)thiocarbamoylamino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4S/c1-5-23-11-15(16(22-23)18(25)27-12(3)4)21-19(28)20-14-9-7-13(8-10-14)17(24)26-6-2/h7-12H,5-6H2,1-4H3,(H2,20,21,28)