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

Systemtic Name: 4-[[2-[(Z)-(5-oxidanylidene-1-propyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[(Z)-(5-oxo-1-propyl-2-thioxo-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[(Z)-(5-oxo-1-propyl-2-sulfanylidene-4-imidazolidinylidene)methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[(Z)-(5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[(Z)-(5-keto-1-propyl-2-thioxo-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=CC2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)NC1=S

Isomeric SMILES

CCCN1C(=O)/C(=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)/NC1=S

InChI

InChI=1S/C21H20N2O4S/c1-2-11-23-19(24)17(22-21(23)28)12-16-5-3-4-6-18(16)27-13-14-7-9-15(10-8-14)20(25)26/h3-10,12H,2,11,13H2,1H3,(H,22,28)(H,25,26)/b17-12-