N-(4-tert-butylphenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(4-tert-butylphenyl)-2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(4-tert-butylphenyl)-2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]acetamide Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O4S/c1-26(2,3)17-9-11-18(12-10-17)27-24(31)16-35-25-28-20-15-19(30(32)33)13-14-21(20)29(25)22-7-5-6-8-23(22)34-4/h5-15H,16H2,1-4H3,(H,27,31)