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

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]acetamide Formula: C27H28N4O5S MolecularWeight: 520.60002

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H28N4O5S/c1-27(2,3)17-10-13-23(35-4)20(14-17)28-25(32)16-37-26-29-19-15-18(31(33)34)11-12-21(19)30(26)22-8-6-7-9-24(22)36-5/h6-15H,16H2,1-5H3,(H,28,32)