N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-(4-fluorophenyl)-5-nitro-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-fluorophenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetamide Traditional Name: 2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]thio]-N-piperonyl-acetamide Formula: C23H17FN4O5S MolecularWeight: 480.468283

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC4=C(N3C5=CC=C(C=C5)F)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC4=C(N3C5=CC=C(C=C5)F)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17FN4O5S/c24-15-2-4-16(5-3-15)27-19-7-6-17(28(30)31)10-18(19)26-23(27)34-12-22(29)25-11-14-1-8-20-21(9-14)33-13-32-20/h1-10H,11-13H2,(H,25,29)