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

Systemtic Name: ethyl 1-butyl-3-[cyclohexyl(cyclohexylcarbamothioyl)amino]pyrazole-4-carboxylate Openeye Name: ethyl 1-butyl-3-[cyclohexyl(cyclohexylcarbamothioyl)amino]pyrazole-4-carboxylate CAS Name: 1-butyl-3-[cyclohexyl-[(cyclohexylamino)-sulfanylidenemethyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-3-[cyclohexyl(cyclohexylcarbamothioyl)amino]pyrazole-4-carboxylate Traditional Name: 1-butyl-3-[cyclohexyl(cyclohexylthiocarbamoyl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C23H38N4O2S MolecularWeight: 434.63842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=N1)N(C2CCCCC2)C(=S)NC3CCCCC3)C(=O)OCC

Isomeric SMILES

CCCCN1C=C(C(=N1)N(C2CCCCC2)C(=S)NC3CCCCC3)C(=O)OCC

InChI

InChI=1S/C23H38N4O2S/c1-3-5-16-26-17-20(22(28)29-4-2)21(25-26)27(19-14-10-7-11-15-19)23(30)24-18-12-8-6-9-13-18/h17-19H,3-16H2,1-2H3,(H,24,30)