ethyl 3-(cyclohexylcarbamothioylamino)-1-ethyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-(cyclohexylcarbamothioylamino)-1-ethyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-(cyclohexylcarbamothioylamino)-1-ethyl-pyrazole-4-carboxylate CAS Name: 3-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-1-ethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(cyclohexylcarbamothioylamino)-1-ethylpyrazole-4-carboxylate Traditional Name: 3-(cyclohexylthiocarbamoylamino)-1-ethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C15H24N4O2S MolecularWeight: 324.44166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)NC(=S)NC2CCCCC2)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=N1)NC(=S)NC2CCCCC2)C(=O)OCC

InChI

InChI=1S/C15H24N4O2S/c1-3-19-10-12(14(20)21-4-2)13(18-19)17-15(22)16-11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3,(H2,16,17,18,22)