3,5-bis[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3,5-bis[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3,5-bis[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3,5-bis[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3,5-bis[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3,5-bis[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C27H24N6O6S2 MolecularWeight: 592.64606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC(=CC(=C3)C(=O)O)NC(=O)CSC4=NC5=C(N4)C=C(C=C5)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC(=CC(=C3)C(=O)O)NC(=O)CSC4=NC5=C(N4)C=C(C=C5)OC

InChI

InChI=1S/C27H24N6O6S2/c1-38-17-3-5-19-21(10-17)32-26(30-19)40-12-23(34)28-15-7-14(25(36)37)8-16(9-15)29-24(35)13-41-27-31-20-6-4-18(39-2)11-22(20)33-27/h3-11H,12-13H2,1-2H3,(H,28,34)(H,29,35)(H,30,32)(H,31,33)(H,36,37)