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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetamide Traditional Name: 2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]-N-piperonyl-acetamide Formula: C24H20N4O6S MolecularWeight: 492.5038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H20N4O6S/c1-32-20-5-3-2-4-19(20)27-18-8-7-16(28(30)31)11-17(18)26-24(27)35-13-23(29)25-12-15-6-9-21-22(10-15)34-14-33-21/h2-11H,12-14H2,1H3,(H,25,29)