N-(1-adamantyl)-N-[(4-chlorophenyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-N-[(4-chlorophenyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-N-[(4-chlorophenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-N-[(4-chlorophenyl)methyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-N-[(4-chlorophenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-N-(4-chlorobenzyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C24H27ClN2O2S MolecularWeight: 443.00138

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)Cl)C(=O)CSC5=CC=CC=[N+]5[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)Cl)C(=O)CSC5=CC=CC=[N+]5[O-]

InChI

InChI=1S/C24H27ClN2O2S/c25-21-6-4-17(5-7-21)15-26(22(28)16-30-23-3-1-2-8-27(23)29)24-12-18-9-19(13-24)11-20(10-18)14-24/h1-8,18-20H,9-16H2