methyl 2-[2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoate

Systemtic Name: methyl 2-[2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoate Openeye Name: methyl 2-[2-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoate CAS Name: 2-[[2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoate Traditional Name: 2-[2-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]thio]propanoylamino]benzoic acid methyl ester Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(N2)SC(C)C(=O)NC3=CC=CC=C3C(=O)OC)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=C3C(=O)OC)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H27N3O3S/c1-17-9-13-20(14-10-17)24-25(21-15-11-18(2)12-16-21)31-28(30-24)35-19(3)26(32)29-23-8-6-5-7-22(23)27(33)34-4/h5-16,19H,1-4H3,(H,29,32)(H,30,31)