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

Systemtic Name: dodecyl 2-[1-(hexanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-(hexanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(1-oxohexylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-(hexanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(caproylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C25H45N3O4S MolecularWeight: 483.7075

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H45N3O4S/c1-3-5-7-8-9-10-11-12-13-15-19-32-23(30)20-21-24(31)26-17-18-28(21)25(33)27-22(29)16-14-6-4-2/h21H,3-20H2,1-2H3,(H,26,31)(H,27,29,33)