3-[2-(1,4-diphenylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: 3-[2-(1,4-diphenylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: 3-[[2-(1,4-diphenylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(1,4-diphenyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-(1,4-diphenylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(1,4-diphenylimidazol-2-yl)thio]acetyl]amino]benzoate Formula: C24H18N3O3S- MolecularWeight: 428.48302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C(=N2)SCC(=O)NC3=CC=CC(=C3)C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C(=N2)SCC(=O)NC3=CC=CC(=C3)C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H19N3O3S/c28-22(25-19-11-7-10-18(14-19)23(29)30)16-31-24-26-21(17-8-3-1-4-9-17)15-27(24)20-12-5-2-6-13-20/h1-15H,16H2,(H,25,28)(H,29,30)/p-1