4-[[4-bromanyl-2-[(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-bromanyl-2-[(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-bromo-2-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[4-bromo-2-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-5-thiazolidinylidene)methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-bromo-2-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[4-bromo-2-[(3-cyclohexyl-2-cyclohexylimino-4-keto-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid Formula: C30H33BrN2O4S MolecularWeight: 597.56302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C2N(C(=O)C(=CC3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)C(=O)O)S2)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)N=C2N(C(=O)C(=CC3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)C(=O)O)S2)C5CCCCC5

InChI

InChI=1S/C30H33BrN2O4S/c31-23-15-16-26(37-19-20-11-13-21(14-12-20)29(35)36)22(17-23)18-27-28(34)33(25-9-5-2-6-10-25)30(38-27)32-24-7-3-1-4-8-24/h11-18,24-25H,1-10,19H2,(H,35,36)