N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-nitrophenyl)-1-phenyl-imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-nitrophenyl)-1-phenyl-imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-nitrophenyl)-1-phenyl-imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(3-nitrophenyl)-1-phenyl-2-imidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-nitrophenyl)-1-phenylimidazol-2-yl]sulfanylacetamide Traditional Name: 2-[[4-(3-nitrophenyl)-1-phenyl-imidazol-2-yl]thio]-N-piperonyl-acetamide Formula: C25H20N4O5S MolecularWeight: 488.5151

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC(=CN3C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC(=CN3C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O5S/c30-24(26-13-17-9-10-22-23(11-17)34-16-33-22)15-35-25-27-21(14-28(25)19-6-2-1-3-7-19)18-5-4-8-20(12-18)29(31)32/h1-12,14H,13,15-16H2,(H,26,30)