4-[2-[2-[2-[(4-carboxylatophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[2-[2-[(4-carboxylatophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]ethanoylamino]benzoate Openeye Name: 4-[[2-[2-[2-(4-carboxylatoanilino)-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[[2-(4-carboxylatoanilino)-2-oxoethyl]thio]-1-benzimidazolyl]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[2-[2-(4-carboxylatoanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[[2-(4-carboxylatoanilino)-2-keto-ethyl]thio]benzimidazol-1-yl]acetyl]amino]benzoate Formula: C25H18N4O6S-2 MolecularWeight: 502.49862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC(=O)NC3=CC=C(C=C3)C(=O)[O-])SCC(=O)NC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CC(=O)NC3=CC=C(C=C3)C(=O)[O-])SCC(=O)NC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C25H20N4O6S/c30-21(26-17-9-5-15(6-10-17)23(32)33)13-29-20-4-2-1-3-19(20)28-25(29)36-14-22(31)27-18-11-7-16(8-12-18)24(34)35/h1-12H,13-14H2,(H,26,30)(H,27,31)(H,32,33)(H,34,35)/p-2