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

Systemtic Name: ethyl 3-(cyclohexylcarbamothioylamino)-1-propyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-(cyclohexylcarbamothioylamino)-1-propyl-pyrazole-4-carboxylate CAS Name: 3-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-1-propyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(cyclohexylcarbamothioylamino)-1-propylpyrazole-4-carboxylate Traditional Name: 3-(cyclohexylthiocarbamoylamino)-1-propyl-pyrazole-4-carboxylic acid ethyl ester Formula: C16H26N4O2S MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)NC(=S)NC2CCCCC2)C(=O)OCC

Isomeric SMILES

CCCN1C=C(C(=N1)NC(=S)NC2CCCCC2)C(=O)OCC

InChI

InChI=1S/C16H26N4O2S/c1-3-10-20-11-13(15(21)22-4-2)14(19-20)18-16(23)17-12-8-6-5-7-9-12/h11-12H,3-10H2,1-2H3,(H2,17,18,19,23)