N-(1-adamantyl)-2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[1-(4-fluorophenyl)-5-nitro-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[1-(4-fluorophenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]thio]acetamide Formula: C25H25FN4O3S MolecularWeight: 480.554403

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC5=C(N4C6=CC=C(C=C6)F)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC5=C(N4C6=CC=C(C=C6)F)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H25FN4O3S/c26-18-1-3-19(4-2-18)29-22-6-5-20(30(32)33)10-21(22)27-24(29)34-14-23(31)28-25-11-15-7-16(12-25)9-17(8-15)13-25/h1-6,10,15-17H,7-9,11-14H2,(H,28,31)