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

Systemtic Name: propan-2-yl 4-(3-ethoxypropylcarbamothioylamino)-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-(3-ethoxypropylcarbamothioylamino)-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[(3-ethoxypropylamino)-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-ethoxypropylcarbamothioylamino)-1-ethylpyrazole-3-carboxylate Traditional Name: 4-(3-ethoxypropylthiocarbamoylamino)-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C15H26N4O3S MolecularWeight: 342.45694

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NCCCOCC

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NCCCOCC

InChI

InChI=1S/C15H26N4O3S/c1-5-19-10-12(13(18-19)14(20)22-11(3)4)17-15(23)16-8-7-9-21-6-2/h10-11H,5-9H2,1-4H3,(H2,16,17,23)