4-[2-[(4Z)-5-oxidanylidene-1-phenyl-4-(phenylmethylidene)imidazol-2-yl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-[(4Z)-5-oxidanylidene-1-phenyl-4-(phenylmethylidene)imidazol-2-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[(4Z)-4-benzylidene-5-oxo-1-phenyl-imidazol-2-yl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[[(4Z)-5-oxo-1-phenyl-4-(phenylmethylene)-2-imidazolyl]thio]ethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(4Z)-4-benzylidene-5-oxo-1-phenylimidazol-2-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[(4Z)-4-benzal-5-keto-1-phenyl-2-imidazolin-2-yl]thio]acetyl]amino]benzoic acid Formula: C25H19N3O4S MolecularWeight: 457.50106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H19N3O4S/c29-22(26-19-13-11-18(12-14-19)24(31)32)16-33-25-27-21(15-17-7-3-1-4-8-17)23(30)28(25)20-9-5-2-6-10-20/h1-15H,16H2,(H,26,29)(H,31,32)/b21-15-