N-(1-adamantylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C18H23N3O3S/c22-15(11-25-16-3-1-2-4-21(16)24)19-17(23)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H2,19,20,22,23)