ethyl 1-propyl-3-[propyl(propylcarbamothioyl)amino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-propyl-3-[propyl(propylcarbamothioyl)amino]pyrazole-4-carboxylate Openeye Name: ethyl 1-propyl-3-[propyl(propylcarbamothioyl)amino]pyrazole-4-carboxylate CAS Name: 1-propyl-3-[propyl-[propylamino(sulfanylidene)methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-propyl-3-[propyl(propylcarbamothioyl)amino]pyrazole-4-carboxylate Traditional Name: 1-propyl-3-[propyl(propylthiocarbamoyl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C16H28N4O2S MolecularWeight: 340.48412

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N(CCC)C1=NN(C=C1C(=O)OCC)CCC

Isomeric SMILES

CCCNC(=S)N(CCC)C1=NN(C=C1C(=O)OCC)CCC

InChI

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