4-tert-butyl-N-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3S/c1-18(2,3)14-9-7-13(8-10-14)17(22)19-15(21)12-24-16-6-4-5-11-20(16)23/h4-11H,12H2,1-3H3,(H,19,21,22)