4-[2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[(1-phenethyl-2-benzimidazolyl)thio]ethyl]amino]benzoic acid IUPAC Name: 4-[[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(1-phenethylbenzimidazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H21N3O3S/c28-22(25-19-12-10-18(11-13-19)23(29)30)16-31-24-26-20-8-4-5-9-21(20)27(24)15-14-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,25,28)(H,29,30)