2-[4-[2-[(4Z)-4-[(4-methylphenyl)methylidene]-5-oxidanylidene-1-phenyl-imidazol-2-yl]sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[2-[(4Z)-4-[(4-methylphenyl)methylidene]-5-oxidanylidene-1-phenyl-imidazol-2-yl]sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[2-[(4Z)-5-oxo-1-phenyl-4-(p-tolylmethylene)imidazol-2-yl]sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[2-[[(4Z)-4-[(4-methylphenyl)methylidene]-5-oxo-1-phenyl-2-imidazolyl]thio]-1-oxopropyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[2-[(4Z)-4-[(4-methylphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[2-[[(4Z)-5-keto-4-(4-methylbenzylidene)-1-phenyl-2-imidazolin-2-yl]thio]propanoylamino]phenyl]cinchoninic acid Formula: C36H28N4O4S MolecularWeight: 612.69692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SC(C)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=N2)SC(C)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C36H28N4O4S/c1-22-12-14-24(15-13-22)20-32-34(42)40(27-8-4-3-5-9-27)36(39-32)45-23(2)33(41)37-26-18-16-25(17-19-26)31-21-29(35(43)44)28-10-6-7-11-30(28)38-31/h3-21,23H,1-2H3,(H,37,41)(H,43,44)/b32-20-