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

Systemtic Name: 2-[4-[2-[(4Z)-5-oxidanylidene-1-phenyl-4-(phenylmethylidene)imidazol-2-yl]sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[2-[(4Z)-4-benzylidene-5-oxo-1-phenyl-imidazol-2-yl]sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[1-oxo-2-[[(4Z)-5-oxo-1-phenyl-4-(phenylmethylene)-2-imidazolyl]thio]propyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[2-[(4Z)-4-benzylidene-5-oxo-1-phenylimidazol-2-yl]sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[2-[[(4Z)-4-benzal-5-keto-1-phenyl-2-imidazolin-2-yl]thio]propanoylamino]phenyl]cinchoninic acid Formula: C35H26N4O4S MolecularWeight: 598.67034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)SC4=NC(=CC5=CC=CC=C5)C(=O)N4C6=CC=CC=C6

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)SC4=N/C(=C\C5=CC=CC=C5)/C(=O)N4C6=CC=CC=C6

InChI

InChI=1S/C35H26N4O4S/c1-22(44-35-38-31(20-23-10-4-2-5-11-23)33(41)39(35)26-12-6-3-7-13-26)32(40)36-25-18-16-24(17-19-25)30-21-28(34(42)43)27-14-8-9-15-29(27)37-30/h2-22H,1H3,(H,36,40)(H,42,43)/b31-20-