N-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]acetamide CAS Name: N-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-2-[(3-nitrophenyl)methylthio]acetamide IUPAC Name: N-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-(1-adamantyl)-N-(4-fluorobenzyl)-2-[(3-nitrobenzyl)thio]acetamide Formula: C26H29FN2O3S MolecularWeight: 468.583463

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)CSCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)CSCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H29FN2O3S/c27-23-6-4-18(5-7-23)15-28(26-12-20-8-21(13-26)10-22(9-20)14-26)25(30)17-33-16-19-2-1-3-24(11-19)29(31)32/h1-7,11,20-22H,8-10,12-17H2