2-[2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-[2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-[[2-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-[[2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-[[2-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]thio]acetyl]amino]benzoic acid Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CSC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CSC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H16N4O3S/c26-18(23-15-8-2-1-6-13(15)21(27)28)12-29-20-14(7-5-11-22-20)19-24-16-9-3-4-10-17(16)25-19/h1-11H,12H2,(H,23,26)(H,24,25)(H,27,28)