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

Systemtic Name: ethyl 3-(hexylcarbamothioylamino)-1-propyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-(hexylcarbamothioylamino)-1-propyl-pyrazole-4-carboxylate CAS Name: 3-[[(hexylamino)-sulfanylidenemethyl]amino]-1-propyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(hexylcarbamothioylamino)-1-propylpyrazole-4-carboxylate Traditional Name: 3-(hexylthiocarbamoylamino)-1-propyl-pyrazole-4-carboxylic acid ethyl ester Formula: C16H28N4O2S MolecularWeight: 340.48412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)NC1=NN(C=C1C(=O)OCC)CCC

Isomeric SMILES

CCCCCCNC(=S)NC1=NN(C=C1C(=O)OCC)CCC

InChI

InChI=1S/C16H28N4O2S/c1-4-7-8-9-10-17-16(23)18-14-13(15(21)22-6-3)12-20(19-14)11-5-2/h12H,4-11H2,1-3H3,(H2,17,18,19,23)