methyl 2-[1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(pivaloylthiocarbamoyl)piperazin-2-yl]acetic acid methyl ester Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC

InChI

InChI=1S/C13H21N3O4S/c1-13(2,3)11(19)15-12(21)16-6-5-14-10(18)8(16)7-9(17)20-4/h8H,5-7H2,1-4H3,(H,14,18)(H,15,19,21)