N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-[ethyl(isopropyl)amino]phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[4-[ethyl(isopropyl)amino]phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2S/c1-4-20(14(2)3)16-10-8-15(9-11-16)19-17(22)13-24-18-7-5-6-12-21(18)23/h5-12,14H,4,13H2,1-3H3,(H,19,22)