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

Systemtic Name: 4-[[2-[(E)-(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[(E)-(5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[(E)-(5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[(E)-(5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid Formula: C18H14N2O4S MolecularWeight: 354.37976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C2C(=O)NC(=S)N2)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/2\C(=O)NC(=S)N2)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H14N2O4S/c21-16-14(19-18(25)20-16)9-13-3-1-2-4-15(13)24-10-11-5-7-12(8-6-11)17(22)23/h1-9H,10H2,(H,22,23)(H2,19,20,21,25)/b14-9+