N-(1-adamantyl)-2-[1-(4-fluorophenyl)-5-oxidanylidene-4-(phenylmethylidene)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[1-(4-fluorophenyl)-5-oxidanylidene-4-(phenylmethylidene)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[1-(4-fluorophenyl)-5-oxo-4-(phenylmethylene)-2-imidazolyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[4-benzal-1-(4-fluorophenyl)-5-keto-2-imidazolin-2-yl]thio]acetamide Formula: C28H28FN3O2S MolecularWeight: 489.604223

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC(=CC5=CC=CC=C5)C(=O)N4C6=CC=C(C=C6)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC(=CC5=CC=CC=C5)C(=O)N4C6=CC=C(C=C6)F

InChI

InChI=1S/C28H28FN3O2S/c29-22-6-8-23(9-7-22)32-26(34)24(13-18-4-2-1-3-5-18)30-27(32)35-17-25(33)31-28-14-19-10-20(15-28)12-21(11-19)16-28/h1-9,13,19-21H,10-12,14-17H2,(H,31,33)