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

Systemtic Name: ethyl 3-[cyclohexyl(cyclohexylcarbamothioyl)amino]-1-propyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-[cyclohexyl(cyclohexylcarbamothioyl)amino]-1-propyl-pyrazole-4-carboxylate CAS Name: 3-[cyclohexyl-[(cyclohexylamino)-sulfanylidenemethyl]amino]-1-propyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[cyclohexyl(cyclohexylcarbamothioyl)amino]-1-propylpyrazole-4-carboxylate Traditional Name: 3-[cyclohexyl(cyclohexylthiocarbamoyl)amino]-1-propyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H36N4O2S MolecularWeight: 420.61184

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)N(C2CCCCC2)C(=S)NC3CCCCC3)C(=O)OCC

Isomeric SMILES

CCCN1C=C(C(=N1)N(C2CCCCC2)C(=S)NC3CCCCC3)C(=O)OCC

InChI

InChI=1S/C22H36N4O2S/c1-3-15-25-16-19(21(27)28-4-2)20(24-25)26(18-13-9-6-10-14-18)22(29)23-17-11-7-5-8-12-17/h16-18H,3-15H2,1-2H3,(H,23,29)