propan-2-yl 1-ethyl-4-(1-phenylethylcarbamothioylamino)pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-(1-phenylethylcarbamothioylamino)pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-(1-phenylethylcarbamothioylamino)pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-(1-phenylethylcarbamothioylamino)pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-(1-phenylethylthiocarbamoylamino)pyrazole-3-carboxylic acid isopropyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2S/c1-5-22-11-15(16(21-22)17(23)24-12(2)3)20-18(25)19-13(4)14-9-7-6-8-10-14/h6-13H,5H2,1-4H3,(H2,19,20,25)