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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O3S/c1-16-7-11-19(12-8-16)23-24(20-13-9-17(2)10-14-20)30-27(29-23)34-18(3)25(31)28-22-6-4-5-21(15-22)26(32)33/h4-15,18H,1-3H3,(H,28,31)(H,29,30)(H,32,33)