N-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]propanamide

Systemtic Name: N-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]propanamide Openeye Name: N-[4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]propanamide CAS Name: N-[4-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]phenyl]propanamide IUPAC Name: N-[4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]propanamide Traditional Name: N-[4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]phenyl]propionamide Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H16N2O3S/c1-2-15(20)17-13-8-6-12(7-9-13)14(19)11-22-16-5-3-4-10-18(16)21/h3-10H,2,11H2,1H3,(H,17,20)