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

Systemtic Name: (phenylmethyl) 2-[(2S)-1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[(2S)-1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2S)-1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-(pivaloylthiocarbamoyl)piperazin-2-yl]acetic acid benzyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H25N3O4S/c1-19(2,3)17(25)21-18(27)22-10-9-20-16(24)14(22)11-15(23)26-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,24)(H,21,25,27)/t14-/m0/s1