N-(4-ethoxyphenyl)-4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-(4-ethoxyphenyl)-4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-(4-ethoxyphenyl)-4-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]-N-p-phenetyl-benzamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C22H21N3O4S/c1-2-29-19-12-10-18(11-13-19)24-22(27)16-6-8-17(9-7-16)23-20(26)15-30-21-5-3-4-14-25(21)28/h3-14H,2,15H2,1H3,(H,23,26)(H,24,27)