methyl 4-[2-[1-(4-acetamidophenyl)-4-phenyl-imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[1-(4-acetamidophenyl)-4-phenyl-imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-(4-acetamidophenyl)-4-phenyl-imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-(4-acetamidophenyl)-4-phenyl-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(4-acetamidophenyl)-4-phenylimidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(4-acetamidophenyl)-4-phenyl-imidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C27H24N4O4S MolecularWeight: 500.56886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C=C(N=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C=C(N=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H24N4O4S/c1-18(32)28-21-12-14-23(15-13-21)31-16-24(19-6-4-3-5-7-19)30-27(31)36-17-25(33)29-22-10-8-20(9-11-22)26(34)35-2/h3-16H,17H2,1-2H3,(H,28,32)(H,29,33)