N-(5-tert-butyl-2-methoxy-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-18(2,3)13-8-9-15(23-4)14(11-13)19-16(21)12-24-17-7-5-6-10-20(17)22/h5-11H,12H2,1-4H3,(H,19,21)