2-(cyclohexylcarbamothioylamino)pentanoic acid

Systemtic Name: 2-(cyclohexylcarbamothioylamino)pentanoic acid Openeye Name: 2-(cyclohexylcarbamothioylamino)pentanoic acid CAS Name: 2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]pentanoic acid IUPAC Name: 2-(cyclohexylcarbamothioylamino)pentanoic acid Traditional Name: 2-(cyclohexylthiocarbamoylamino)valeric acid Formula: C12H22N2O2S MolecularWeight: 258.38028

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=S)NC1CCCCC1

Isomeric SMILES

CCCC(C(=O)O)NC(=S)NC1CCCCC1

InChI

InChI=1S/C12H22N2O2S/c1-2-6-10(11(15)16)14-12(17)13-9-7-4-3-5-8-9/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)