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

Systemtic Name: propan-2-yl 4-[(2-ethoxyphenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[(2-ethoxyphenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[(2-ethoxyanilino)-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(2-ethoxyphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 1-ethyl-4-(o-phenetylthiocarbamoylamino)pyrazole-3-carboxylic acid isopropyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=CC=CC=C2OCC

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=CC=CC=C2OCC

InChI

InChI=1S/C18H24N4O3S/c1-5-22-11-14(16(21-22)17(23)25-12(3)4)20-18(26)19-13-9-7-8-10-15(13)24-6-2/h7-12H,5-6H2,1-4H3,(H2,19,20,26)