decyl 2-[3-oxidanylidene-1-(phenylcarbonylcarbamothioyl)piperazin-2-yl]ethanoate

Systemtic Name: decyl 2-[3-oxidanylidene-1-(phenylcarbonylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: decyl 2-[1-(benzoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[benzamido(sulfanylidene)methyl]-3-oxo-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-(benzoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(benzoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid decyl ester Formula: C24H35N3O4S MolecularWeight: 461.6174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H35N3O4S/c1-2-3-4-5-6-7-8-12-17-31-21(28)18-20-23(30)25-15-16-27(20)24(32)26-22(29)19-13-10-9-11-14-19/h9-11,13-14,20H,2-8,12,15-18H2,1H3,(H,25,30)(H,26,29,32)