2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[(2S)-2-phenylpropyl]ethanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[(2S)-2-phenylpropyl]ethanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[(2S)-2-phenylpropyl]acetamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-[(2S)-2-phenylpropyl]acetamide Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSC1=CC=CC=[N+]1[O-])C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)CSC1=CC=CC=[N+]1[O-])C2=CC=CC=C2

InChI

InChI=1S/C16H18N2O2S/c1-13(14-7-3-2-4-8-14)11-17-15(19)12-21-16-9-5-6-10-18(16)20/h2-10,13H,11-12H2,1H3,(H,17,19)/t13-/m1/s1