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

Systemtic Name: decyl 2-[1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 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 decyl ester IUPAC Name: decyl 2-[1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(pivaloylthiocarbamoyl)piperazin-2-yl]acetic acid decyl ester Formula: C22H39N3O4S MolecularWeight: 441.62776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H39N3O4S/c1-5-6-7-8-9-10-11-12-15-29-18(26)16-17-19(27)23-13-14-25(17)21(30)24-20(28)22(2,3)4/h17H,5-16H2,1-4H3,(H,23,27)(H,24,28,30)