4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpropanoylamino]benzamide

Systemtic Name: 4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpropanoylamino]benzamide Openeye Name: 4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoylamino]benzamide CAS Name: 4-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoylamino]benzamide Traditional Name: 4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]propanoylamino]benzamide Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H15N3O3S/c1-10(22-13-4-2-3-9-18(13)21)15(20)17-12-7-5-11(6-8-12)14(16)19/h2-10H,1H3,(H2,16,19)(H,17,20)