N-(2-methylpropyl)-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-(2-methylpropyl)-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-isobutyl-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-(2-methylpropyl)-2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(2-methylpropyl)-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-isobutyl-2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]benzamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C18H21N3O3S/c1-13(2)11-19-18(23)14-7-3-4-8-15(14)20-16(22)12-25-17-9-5-6-10-21(17)24/h3-10,13H,11-12H2,1-2H3,(H,19,23)(H,20,22)