2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(3-phenylpropyl)ethanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-(3-phenylpropyl)acetamide Formula: C16H18N2O2S MolecularWeight: 302.39132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H18N2O2S/c19-15(13-21-16-10-4-5-12-18(16)20)17-11-6-9-14-7-2-1-3-8-14/h1-5,7-8,10,12H,6,9,11,13H2,(H,17,19)