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

Systemtic Name: 3-methylbutyl 2-[1-(ethanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(acetylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[acetamido(sulfanylidene)methyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(acetylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(acetylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C14H23N3O4S MolecularWeight: 329.41512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O4S/c1-9(2)4-7-21-12(19)8-11-13(20)15-5-6-17(11)14(22)16-10(3)18/h9,11H,4-8H2,1-3H3,(H,15,20)(H,16,18,22)