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

Systemtic Name: phenethyl 2-[1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 2-[1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(pivaloylthiocarbamoyl)piperazin-2-yl]acetic acid phenethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C20H27N3O4S/c1-20(2,3)18(26)22-19(28)23-11-10-21-17(25)15(23)13-16(24)27-12-9-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,21,25)(H,22,26,28)