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

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethoxy]benzoate Openeye Name: ethyl 4-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazino]ethoxy]benzoate CAS Name: 4-[2-oxo-2-[[(1-oxopentylamino)-sulfanylidenemethyl]hydrazo]ethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethoxy]benzoate Traditional Name: 4-[2-keto-2-[N'-(valerylthiocarbamoyl)hydrazino]ethoxy]benzoic acid ethyl ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5S/c1-3-5-6-14(21)18-17(26)20-19-15(22)11-25-13-9-7-12(8-10-13)16(23)24-4-2/h7-10H,3-6,11H2,1-2H3,(H,19,22)(H2,18,20,21,26)