4-[[2-methoxy-4-[(Z)-(5-oxidanylidene-1-propyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate

Systemtic Name: 4-[[2-methoxy-4-[(Z)-(5-oxidanylidene-1-propyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate Openeye Name: 4-[[2-methoxy-4-[(Z)-(5-oxo-1-propyl-2-thioxo-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-methoxy-4-[(Z)-(5-oxo-1-propyl-2-sulfanylidene-4-imidazolidinylidene)methyl]phenoxy]methyl]benzoate IUPAC Name: 4-[[2-methoxy-4-[(Z)-(5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(Z)-(5-keto-1-propyl-2-thioxo-imidazolidin-4-ylidene)methyl]-2-methoxy-phenoxy]methyl]benzoate Formula: C22H21N2O5S- MolecularWeight: 425.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-])OC)NC1=S

Isomeric SMILES

CCCN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-])OC)/NC1=S

InChI

InChI=1S/C22H22N2O5S/c1-3-10-24-20(25)17(23-22(24)30)11-15-6-9-18(19(12-15)28-2)29-13-14-4-7-16(8-5-14)21(26)27/h4-9,11-12H,3,10,13H2,1-2H3,(H,23,30)(H,26,27)/p-1/b17-11-