2-(cyclohexylcarbamothioylamino)-3-methyl-butanoic acid

Systemtic Name: 2-(cyclohexylcarbamothioylamino)-3-methyl-butanoic acid Openeye Name: 2-(cyclohexylcarbamothioylamino)-3-methyl-butanoic acid CAS Name: 2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-(cyclohexylcarbamothioylamino)-3-methylbutanoic acid Traditional Name: 2-(cyclohexylthiocarbamoylamino)-3-methyl-butyric acid Formula: C12H22N2O2S MolecularWeight: 258.38028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N2O2S/c1-8(2)10(11(15)16)14-12(17)13-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)