3,5-bis[2-(5-methoxy-1-methyl-benzimidazol-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 3,5-bis[2-(5-methoxy-1-methyl-benzimidazol-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 3,5-bis[[2-(5-methoxy-1-methyl-benzimidazol-2-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 3,5-bis[[2-[(5-methoxy-1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3,5-bis[[2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3,5-bis[[2-[(5-methoxy-1-methyl-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C29H28N6O6S2 MolecularWeight: 620.69922

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)N=C1SCC(=O)NC3=CC(=CC(=C3)C(=O)O)NC(=O)CSC4=NC5=C(N4C)C=CC(=C5)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)N=C1SCC(=O)NC3=CC(=CC(=C3)C(=O)O)NC(=O)CSC4=NC5=C(N4C)C=CC(=C5)OC

InChI

InChI=1S/C29H28N6O6S2/c1-34-23-7-5-19(40-3)12-21(23)32-28(34)42-14-25(36)30-17-9-16(27(38)39)10-18(11-17)31-26(37)15-43-29-33-22-13-20(41-4)6-8-24(22)35(29)2/h5-13H,14-15H2,1-4H3,(H,30,36)(H,31,37)(H,38,39)