1-butyl-3-(cyclohexylcarbamothioylamino)pyrazole-4-carboxylic acid

Systemtic Name: 1-butyl-3-(cyclohexylcarbamothioylamino)pyrazole-4-carboxylic acid Openeye Name: 1-butyl-3-(cyclohexylcarbamothioylamino)pyrazole-4-carboxylic acid CAS Name: 1-butyl-3-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-4-pyrazolecarboxylic acid IUPAC Name: 1-butyl-3-(cyclohexylcarbamothioylamino)pyrazole-4-carboxylic acid Traditional Name: 1-butyl-3-(cyclohexylthiocarbamoylamino)pyrazole-4-carboxylic acid Formula: C15H24N4O2S MolecularWeight: 324.44166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=N1)NC(=S)NC2CCCCC2)C(=O)O

Isomeric SMILES

CCCCN1C=C(C(=N1)NC(=S)NC2CCCCC2)C(=O)O

InChI

InChI=1S/C15H24N4O2S/c1-2-3-9-19-10-12(14(20)21)13(18-19)17-15(22)16-11-7-5-4-6-8-11/h10-11H,2-9H2,1H3,(H,20,21)(H2,16,17,18,22)