propyl 4-[2-oxidanylidene-2-[2-(3-phenylpropanoylcarbamothioyl)hydrazinyl]ethoxy]benzoate

Systemtic Name: propyl 4-[2-oxidanylidene-2-[2-(3-phenylpropanoylcarbamothioyl)hydrazinyl]ethoxy]benzoate Openeye Name: propyl 4-[2-oxo-2-[2-(3-phenylpropanoylcarbamothioyl)hydrazino]ethoxy]benzoate CAS Name: 4-[2-oxo-2-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]hydrazo]ethoxy]benzoic acid propyl ester IUPAC Name: propyl 4-[2-oxo-2-[2-(3-phenylpropanoylcarbamothioyl)hydrazinyl]ethoxy]benzoate Traditional Name: 4-[2-[N'-(hydrocinnamoylthiocarbamoyl)hydrazino]-2-keto-ethoxy]benzoic acid propyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O5S/c1-2-14-29-21(28)17-9-11-18(12-10-17)30-15-20(27)24-25-22(31)23-19(26)13-8-16-6-4-3-5-7-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,24,27)(H2,23,25,26,31)