2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)ethanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)ethanamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-(4-phenylbutan-2-yl)acetamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide Traditional Name: N-(1-methyl-3-phenyl-propyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H20N2O2S/c1-14(10-11-15-7-3-2-4-8-15)18-16(20)13-22-17-9-5-6-12-19(17)21/h2-9,12,14H,10-11,13H2,1H3,(H,18,20)