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

Systemtic Name: 4-[[4-[(Z)-(1-cyclohexyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[(Z)-(1-cyclohexyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[(Z)-(1-cyclohexyl-5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[(Z)-(1-cyclohexyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[(Z)-(1-cyclohexyl-5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]-2-methoxy-phenoxy]methyl]benzoic acid Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)N2)C3CCCCC3)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)N2)C3CCCCC3)OCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H26N2O5S/c1-31-22-14-17(9-12-21(22)32-15-16-7-10-18(11-8-16)24(29)30)13-20-23(28)27(25(33)26-20)19-5-3-2-4-6-19/h7-14,19H,2-6,15H2,1H3,(H,26,33)(H,29,30)/b20-13-