2-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[1-(2-anilino-2-oxo-ethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[1-(2-anilino-2-oxoethyl)-2-benzimidazolyl]thio]methyl]benzoic acid IUPAC Name: 2-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[1-(2-anilino-2-keto-ethyl)benzimidazol-2-yl]thio]methyl]benzoic acid Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H19N3O3S/c27-21(24-17-9-2-1-3-10-17)14-26-20-13-7-6-12-19(20)25-23(26)30-15-16-8-4-5-11-18(16)22(28)29/h1-13H,14-15H2,(H,24,27)(H,28,29)