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

Systemtic Name: 3-(cyclohexylcarbamothioylamino)-1-propyl-pyrazole-4-carboxylic acid Openeye Name: 3-(cyclohexylcarbamothioylamino)-1-propyl-pyrazole-4-carboxylic acid CAS Name: 3-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-1-propyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(cyclohexylcarbamothioylamino)-1-propylpyrazole-4-carboxylic acid Traditional Name: 3-(cyclohexylthiocarbamoylamino)-1-propyl-pyrazole-4-carboxylic acid Formula: C14H22N4O2S MolecularWeight: 310.41508

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)NC(=S)NC2CCCCC2)C(=O)O

Isomeric SMILES

CCCN1C=C(C(=N1)NC(=S)NC2CCCCC2)C(=O)O

InChI

InChI=1S/C14H22N4O2S/c1-2-8-18-9-11(13(19)20)12(17-18)16-14(21)15-10-6-4-3-5-7-10/h9-10H,2-8H2,1H3,(H,19,20)(H2,15,16,17,21)