N-tert-butyl-1-[4-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)carbamoyl]phenyl]methanimine oxide

Systemtic Name: N-tert-butyl-1-[4-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)carbamoyl]phenyl]methanimine oxide Openeye Name: N-tert-butyl-1-[4-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]phenyl]methanimine oxide CAS Name: N-tert-butyl-1-[4-[[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-oxomethyl]phenyl]methanimine oxide IUPAC Name: N-tert-butyl-1-[4-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)carbamoyl]phenyl]methanimine oxide Traditional Name: N-tert-butyl-1-[4-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]phenyl]methanimine oxide Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+](=CC1=CC=C(C=C1)C(=O)NC(CS)C(=O)O)[O-]

Isomeric SMILES

CC(C)(C)/[N+](=C/C1=CC=C(C=C1)C(=O)NC(CS)C(=O)O)/[O-]

InChI

InChI=1S/C15H20N2O4S/c1-15(2,3)17(21)8-10-4-6-11(7-5-10)13(18)16-12(9-22)14(19)20/h4-8,12,22H,9H2,1-3H3,(H,16,18)(H,19,20)/b17-8-