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

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzamide Openeye Name: 2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-N-(p-tolylmethyl)benzamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-(4-methylbenzyl)-2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]benzamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C22H21N3O3S/c1-16-9-11-17(12-10-16)14-23-22(27)18-6-2-3-7-19(18)24-20(26)15-29-21-8-4-5-13-25(21)28/h2-13H,14-15H2,1H3,(H,23,27)(H,24,26)