3-methyl-N-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]phenyl]butyramide Formula: C18H20N2O3S MolecularWeight: 344.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3S/c1-13(2)11-17(22)19-15-8-6-14(7-9-15)16(21)12-24-18-5-3-4-10-20(18)23/h3-10,13H,11-12H2,1-2H3,(H,19,22)