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

Systemtic Name: methyl 2-[2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester 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)SCC(=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)SCC(=O)NC3=CC=CC=C3C(=O)OC)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H25N3O3S/c1-17-8-12-19(13-9-17)24-25(20-14-10-18(2)11-15-20)30-27(29-24)34-16-23(31)28-22-7-5-4-6-21(22)26(32)33-3/h4-15H,16H2,1-3H3,(H,28,31)(H,29,30)