propyl 4-[2-oxidanylidene-2-[2-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]hydrazinyl]ethoxy]benzoate

Systemtic Name: propyl 4-[2-oxidanylidene-2-[2-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]hydrazinyl]ethoxy]benzoate Openeye Name: propyl 4-[2-oxo-2-[2-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]hydrazino]ethoxy]benzoate CAS Name: 4-[2-oxo-2-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]ethoxy]benzoic acid propyl ester IUPAC Name: propyl 4-[2-oxo-2-[2-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]hydrazinyl]ethoxy]benzoate Traditional Name: 4-[2-keto-2-[N'-[[(E)-3-phenylacryloyl]thiocarbamoyl]hydrazino]ethoxy]benzoic acid propyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5S/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/h3-13H,2,14-15H2,1H3,(H,24,27)(H2,23,25,26,31)/b13-8+