4-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid

Systemtic Name: 4-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid Openeye Name: 4-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid CAS Name: 4-[[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid Traditional Name: 4-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]thio]propanoylamino]benzoic acid Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC(=C(N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC(=C(N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H25N3O5S/c1-16(25(31)28-20-10-4-19(5-11-20)26(32)33)36-27-29-23(17-6-12-21(34-2)13-7-17)24(30-27)18-8-14-22(35-3)15-9-18/h4-16H,1-3H3,(H,28,31)(H,29,30)(H,32,33)