methyl 3-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)propanoate

Systemtic Name: methyl 3-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)propanoate Openeye Name: methyl 3-(1,1,3,3-tetramethylbutylcarbamothioylamino)propanoate CAS Name: 3-[[sulfanylidene-(2,4,4-trimethylpentan-2-ylamino)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)propanoate Traditional Name: 3-(1,1,3,3-tetramethylbutylthiocarbamoylamino)propionic acid methyl ester Formula: C13H26N2O2S MolecularWeight: 274.42274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H26N2O2S/c1-12(2,3)9-13(4,5)15-11(18)14-8-7-10(16)17-6/h7-9H2,1-6H3,(H2,14,15,18)