4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid

Systemtic Name: 4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid Openeye Name: 4-[3-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid CAS Name: 4-[[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid Traditional Name: 4-[3-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]thio]propanoylamino]benzoic acid Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(N2)SCCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(N2)SCCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H25N3O3S/c1-17-3-7-19(8-4-17)24-25(20-9-5-18(2)6-10-20)30-27(29-24)34-16-15-23(31)28-22-13-11-21(12-14-22)26(32)33/h3-14H,15-16H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)