methyl 2-(cyclohexylcarbamothioylamino)-3-methyl-butanoate

Systemtic Name: methyl 2-(cyclohexylcarbamothioylamino)-3-methyl-butanoate Openeye Name: methyl 2-(cyclohexylcarbamothioylamino)-3-methyl-butanoate CAS Name: 2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-(cyclohexylcarbamothioylamino)-3-methylbutanoate Traditional Name: 2-(cyclohexylthiocarbamoylamino)-3-methyl-butyric acid methyl ester Formula: C13H24N2O2S MolecularWeight: 272.40686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24N2O2S/c1-9(2)11(12(16)17-3)15-13(18)14-10-7-5-4-6-8-10/h9-11H,4-8H2,1-3H3,(H2,14,15,18)