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

Systemtic Name: 2-phenoxyethyl 2-[(2R)-1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 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 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-[(2R)-1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-(pivaloylthiocarbamoyl)piperazin-2-yl]acetic acid 2-phenoxyethyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCOC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCCOC2=CC=CC=C2

InChI

InChI=1S/C20H27N3O5S/c1-20(2,3)18(26)22-19(29)23-10-9-21-17(25)15(23)13-16(24)28-12-11-27-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,21,25)(H,22,26,29)/t15-/m1/s1