ethyl 4-[2-[2-(octanoylcarbamothioyl)hydrazinyl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: ethyl 4-[2-[2-(octanoylcarbamothioyl)hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 4-[2-[2-(octanoylcarbamothioyl)hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-oxo-2-[[(1-oxooctylamino)-sulfanylidenemethyl]hydrazo]ethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(octanoylcarbamothioyl)hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-(caprylylthiocarbamoyl)hydrazino]-2-keto-ethoxy]benzoic acid ethyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)C(=O)OCC

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C20H29N3O5S/c1-3-5-6-7-8-9-17(24)21-20(29)23-22-18(25)14-28-16-12-10-15(11-13-16)19(26)27-4-2/h10-13H,3-9,14H2,1-2H3,(H,22,25)(H2,21,23,24,29)