4-[2-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxidanylidene-1-phenyl-imidazol-2-yl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-[2-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxidanylidene-1-phenyl-imidazol-2-yl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[2-[(4E)-4-[(4-dimethylaminophenyl)methylene]-5-oxo-1-phenyl-imidazol-2-yl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-[[2-[[(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxo-1-phenyl-2-imidazolyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[2-[[(4E)-4-[4-(dimethylamino)benzylidene]-5-keto-1-phenyl-2-imidazolin-2-yl]thio]propanoylamino]benzoic acid Formula: C28H26N4O4S MolecularWeight: 514.59544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC(=CC3=CC=C(C=C3)N(C)C)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=N/C(=C/C3=CC=C(C=C3)N(C)C)/C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C28H26N4O4S/c1-18(25(33)29-21-13-11-20(12-14-21)27(35)36)37-28-30-24(17-19-9-15-22(16-10-19)31(2)3)26(34)32(28)23-7-5-4-6-8-23/h4-18H,1-3H3,(H,29,33)(H,35,36)/b24-17+