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

Systemtic Name: cyclohexyl 2-[(2R)-1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[(2R)-1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-1-[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[(2R)-1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-(pivaloylthiocarbamoyl)piperazin-2-yl]acetic acid cyclohexyl ester Formula: C18H29N3O4S MolecularWeight: 383.50556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC2CCCCC2

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OC2CCCCC2

InChI

InChI=1S/C18H29N3O4S/c1-18(2,3)16(24)20-17(26)21-10-9-19-15(23)13(21)11-14(22)25-12-7-5-4-6-8-12/h12-13H,4-11H2,1-3H3,(H,19,23)(H,20,24,26)/t13-/m1/s1