N-(2,3-dimethylphenyl)-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]acetamide Formula: C17H19N3O3S MolecularWeight: 345.41606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c1-12-6-5-7-14(13(12)2)19-15(21)10-18-16(22)11-24-17-8-3-4-9-20(17)23/h3-9H,10-11H2,1-2H3,(H,18,22)(H,19,21)