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

Systemtic Name: 3-methylbutyl 2-[1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(2,2-dimethylpropanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(pivaloylthiocarbamoyl)piperazin-2-yl]acetic acid isoamyl ester Formula: C17H29N3O4S MolecularWeight: 371.49486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C(C)(C)C

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C(C)(C)C

InChI

InChI=1S/C17H29N3O4S/c1-11(2)6-9-24-13(21)10-12-14(22)18-7-8-20(12)16(25)19-15(23)17(3,4)5/h11-12H,6-10H2,1-5H3,(H,18,22)(H,19,23,25)