N-(1,3-benzodioxol-5-ylmethyl)-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-nitro-1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-nitro-1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: 2-[(5-nitro-1-phenyl-benzimidazol-2-yl)thio]-N-piperonyl-acetamide Formula: C23H18N4O5S MolecularWeight: 462.47782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N4O5S/c28-22(24-12-15-6-9-20-21(10-15)32-14-31-20)13-33-23-25-18-11-17(27(29)30)7-8-19(18)26(23)16-4-2-1-3-5-16/h1-11H,12-14H2,(H,24,28)