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

Systemtic Name: ethyl 4-[2-[2-(hexanoylcarbamothioyl)hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 4-[2-[2-(hexanoylcarbamothioyl)hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-oxo-2-[[(1-oxohexylamino)-sulfanylidenemethyl]hydrazo]ethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(hexanoylcarbamothioyl)hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-(caproylthiocarbamoyl)hydrazino]-2-keto-ethoxy]benzoic acid ethyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5S/c1-3-5-6-7-15(22)19-18(27)21-20-16(23)12-26-14-10-8-13(9-11-14)17(24)25-4-2/h8-11H,3-7,12H2,1-2H3,(H,20,23)(H2,19,21,22,27)