2-[methyl-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]amino]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[methyl-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]amino]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[methyl-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-N-(p-tolyl)acetamide CAS Name: 2-[methyl-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[methyl-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide Traditional Name: 2-[methyl-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]-N-(p-tolyl)acetamide Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H19N3O3S/c1-13-6-8-14(9-7-13)18-15(21)11-19(2)16(22)12-24-17-5-3-4-10-20(17)23/h3-10H,11-12H2,1-2H3,(H,18,21)