N-(2,5-dimethylphenyl)-2-[methyl-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]amino]ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[methyl-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]amino]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[methyl-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[methyl-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[methyl-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[methyl-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]acetamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-13-7-8-14(2)15(10-13)19-16(22)11-20(3)17(23)12-25-18-6-4-5-9-21(18)24/h4-10H,11-12H2,1-3H3,(H,19,22)