5-[[4-(1H-benzimidazol-2-ylsulfanyl)-1-oxidanyl-naphthalen-2-yl]carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[4-(1H-benzimidazol-2-ylsulfanyl)-1-oxidanyl-naphthalen-2-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4-(1H-benzimidazol-2-ylsulfanyl)-1-hydroxy-naphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[4-(1H-benzimidazol-2-ylthio)-1-hydroxy-2-naphthalenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-(1H-benzimidazol-2-ylsulfanyl)-1-hydroxynaphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[4-(1H-benzimidazol-2-ylthio)-1-hydroxy-2-naphthoyl]amino]isophthalic acid Formula: C26H17N3O6S MolecularWeight: 499.49468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)SC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)SC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H17N3O6S/c30-22-17-6-2-1-5-16(17)21(36-26-28-19-7-3-4-8-20(19)29-26)12-18(22)23(31)27-15-10-13(24(32)33)9-14(11-15)25(34)35/h1-12,30H,(H,27,31)(H,28,29)(H,32,33)(H,34,35)