4,7-bis[2-[(2-hydroxyethylamino)sulfanylcarbamoyl]phenyl]-1,10-phenanthroline-2,9-dicarboxylic acid

Systemtic Name: 4,7-bis[2-[(2-hydroxyethylamino)sulfanylcarbamoyl]phenyl]-1,10-phenanthroline-2,9-dicarboxylic acid Openeye Name: 4,7-bis[2-[(2-hydroxyethylamino)sulfanylcarbamoyl]phenyl]-1,10-phenanthroline-2,9-dicarboxylic acid CAS Name: 4,7-bis[2-[[[(2-hydroxyethylamino)thio]amino]-oxomethyl]phenyl]-1,10-phenanthroline-2,9-dicarboxylic acid IUPAC Name: 4,7-bis[2-[(2-hydroxyethylamino)sulfanylcarbamoyl]phenyl]-1,10-phenanthroline-2,9-dicarboxylic acid Traditional Name: 4,7-bis[2-[[(2-hydroxyethylamino)thio]carbamoyl]phenyl]-1,10-phenanthroline-2,9-dicarboxylic acid Formula: C32H28N6O8S2 MolecularWeight: 688.73012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4C5=CC=CC=C5C(=O)NSNCCO)C(=O)O)C(=O)O)C(=O)NSNCCO

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4C5=CC=CC=C5C(=O)NSNCCO)C(=O)O)C(=O)O)C(=O)NSNCCO

InChI

InChI=1S/C32H28N6O8S2/c39-13-11-33-47-37-29(41)21-7-3-1-5-17(21)23-15-25(31(43)44)35-27-19(23)9-10-20-24(16-26(32(45)46)36-28(20)27)18-6-2-4-8-22(18)30(42)38-48-34-12-14-40/h1-10,15-16,33-34,39-40H,11-14H2,(H,37,41)(H,38,42)(H,43,44)(H,45,46)