2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(2-phenylpropyl)propanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(2-phenylpropyl)propanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylpropyl)propanamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-(2-phenylpropyl)propanamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylpropyl)propanamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-(2-phenylpropyl)propionamide Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)SC1=CC=CC=[N+]1[O-])C2=CC=CC=C2

Isomeric SMILES

CC(CNC(=O)C(C)SC1=CC=CC=[N+]1[O-])C2=CC=CC=C2

InChI

InChI=1S/C17H20N2O2S/c1-13(15-8-4-3-5-9-15)12-18-17(20)14(2)22-16-10-6-7-11-19(16)21/h3-11,13-14H,12H2,1-2H3,(H,18,20)