N-tert-butyl-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]acetamide IUPAC Name: N-tert-butyl-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetamide Traditional Name: N-tert-butyl-2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]acetamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-20(2,3)22-18(25)12-29-19-21-14-11-13(24(26)27)9-10-15(14)23(19)16-7-5-6-8-17(16)28-4/h5-11H,12H2,1-4H3,(H,22,25)