2,5-bis[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 2,5-bis[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 2,5-bis[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoic acid CAS Name: 2,5-bis[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2,5-bis[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 2,5-bis[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]benzoic acid Formula: C25H20N6O4S2 MolecularWeight: 532.5941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC(=C(C=C3)NC(=O)CSC4=NC5=CC=CC=C5N4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC(=C(C=C3)NC(=O)CSC4=NC5=CC=CC=C5N4)C(=O)O

InChI

InChI=1S/C25H20N6O4S2/c32-21(12-36-24-28-17-5-1-2-6-18(17)29-24)26-14-9-10-16(15(11-14)23(34)35)27-22(33)13-37-25-30-19-7-3-4-8-20(19)31-25/h1-11H,12-13H2,(H,26,32)(H,27,33)(H,28,29)(H,30,31)(H,34,35)