N-(4-bromanyl-2-methyl-phenyl)-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]acetamide Formula: C16H16BrN3O3S MolecularWeight: 410.28554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN3O3S/c1-11-8-12(17)5-6-13(11)19-14(21)9-18-15(22)10-24-16-4-2-3-7-20(16)23/h2-8H,9-10H2,1H3,(H,18,22)(H,19,21)