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

Systemtic Name: dodecyl 2-[3-oxidanylidene-1-(prop-2-enylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-(allylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(prop-2-enylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[3-oxo-1-(prop-2-enylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(allylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C22H39N3O3S MolecularWeight: 425.62836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NCC=C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NCC=C

InChI

InChI=1S/C22H39N3O3S/c1-3-5-6-7-8-9-10-11-12-13-17-28-20(26)18-19-21(27)23-15-16-25(19)22(29)24-14-4-2/h4,19H,2-3,5-18H2,1H3,(H,23,27)(H,24,29)