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

Systemtic Name: dodecyl 2-[3-oxidanylidene-1-(propanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[3-oxo-1-(propanoylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(1-oxopropylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[3-oxo-1-(propanoylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(propionylthiocarbamoyl)piperazin-2-yl]acetic acid lauryl ester Formula: C22H39N3O4S MolecularWeight: 441.62776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H39N3O4S/c1-3-5-6-7-8-9-10-11-12-13-16-29-20(27)17-18-21(28)23-14-15-25(18)22(30)24-19(26)4-2/h18H,3-17H2,1-2H3,(H,23,28)(H,24,26,30)