propan-2-yl 4-[2-(3,4-diethoxyphenyl)ethylcarbamothioylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[2-(3,4-diethoxyphenyl)ethylcarbamothioylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[2-(3,4-diethoxyphenyl)ethylcarbamothioylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[2-(3,4-diethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[2-(3,4-diethoxyphenyl)ethylcarbamothioylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[2-(3,4-diethoxyphenyl)ethylthiocarbamoylamino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NCCC2=CC(=C(C=C2)OCC)OCC

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NCCC2=CC(=C(C=C2)OCC)OCC

InChI

InChI=1S/C22H32N4O4S/c1-6-26-14-17(20(25-26)21(27)30-15(4)5)24-22(31)23-12-11-16-9-10-18(28-7-2)19(13-16)29-8-3/h9-10,13-15H,6-8,11-12H2,1-5H3,(H2,23,24,31)