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

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[2-(2-phenylethanoylcarbamothioyl)hydrazinyl]ethoxy]benzoate Openeye Name: ethyl 4-[2-oxo-2-[2-[(2-phenylacetyl)carbamothioyl]hydrazino]ethoxy]benzoate CAS Name: 4-[2-oxo-2-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]hydrazo]ethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-[2-[(2-phenylacetyl)carbamothioyl]hydrazinyl]ethoxy]benzoate Traditional Name: 4-[2-keto-2-[N'-[(2-phenylacetyl)thiocarbamoyl]hydrazino]ethoxy]benzoic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H21N3O5S/c1-2-27-19(26)15-8-10-16(11-9-15)28-13-18(25)22-23-20(29)21-17(24)12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,22,25)(H2,21,23,24,29)