dodecyl 2-[1-(3-methylbutanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[1-(3-methylbutanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-(3-methylbutanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-(3-methylbutanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(isovalerylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C24H43N3O4S MolecularWeight: 469.68092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H43N3O4S/c1-4-5-6-7-8-9-10-11-12-13-16-31-22(29)18-20-23(30)25-14-15-27(20)24(32)26-21(28)17-19(2)3/h19-20H,4-18H2,1-3H3,(H,25,30)(H,26,28,32)