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

Systemtic Name: N,N-diethyl-4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N,N-diethyl-4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N,N-diethyl-4-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N,N-diethyl-4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N,N-diethyl-4-[[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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-3-20(4-2)18(23)14-8-10-15(11-9-14)19-16(22)13-25-17-7-5-6-12-21(17)24/h5-12H,3-4,13H2,1-2H3,(H,19,22)