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

Systemtic Name: ethyl 2-[1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 2-[1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(pivaloylthiocarbamoyl)piperazin-2-yl]acetic acid ethyl ester Formula: C14H23N3O4S MolecularWeight: 329.41512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C(C)(C)C

InChI

InChI=1S/C14H23N3O4S/c1-5-21-10(18)8-9-11(19)15-6-7-17(9)13(22)16-12(20)14(2,3)4/h9H,5-8H2,1-4H3,(H,15,19)(H,16,20,22)