methyl 2-[1-(octanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-(octanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(octanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(1-oxooctylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(octanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(caprylylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C16H27N3O4S MolecularWeight: 357.46828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC

Isomeric SMILES

CCCCCCCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC

InChI

InChI=1S/C16H27N3O4S/c1-3-4-5-6-7-8-13(20)18-16(24)19-10-9-17-15(22)12(19)11-14(21)23-2/h12H,3-11H2,1-2H3,(H,17,22)(H,18,20,24)