1-(phenylmethylsulfanyl)ethyl (1E)-3,3-dimethyl-2-(methylcarbamoyl)-N-oxidanyl-butanimidothioate

Systemtic Name: 1-(phenylmethylsulfanyl)ethyl (1E)-3,3-dimethyl-2-(methylcarbamoyl)-N-oxidanyl-butanimidothioate Openeye Name: 1-benzylsulfanylethyl (1E)-N-hydroxy-3,3-dimethyl-2-(methylcarbamoyl)butanimidothioate CAS Name: (1E)-N-hydroxy-3,3-dimethyl-2-(methylcarbamoyl)butanimidothioic acid 1-(phenylmethylthio)ethyl ester IUPAC Name: 1-benzylsulfanylethyl (1E)-N-hydroxy-3,3-dimethyl-2-(methylcarbamoyl)butanimidothioate Traditional Name: (1E)-N-hydroxy-3,3-dimethyl-2-(methylcarbamoyl)thiobutyrimidic acid 1-(benzylthio)ethyl ester Formula: C17H26N2O2S2 MolecularWeight: 354.53054

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Descriptors Computed from Structure

Canonical SMILES:

CC(SCC1=CC=CC=C1)SC(=NO)C(C(=O)NC)C(C)(C)C

Isomeric SMILES

CC(SCC1=CC=CC=C1)S/C(=N/O)/C(C(=O)NC)C(C)(C)C

InChI

InChI=1S/C17H26N2O2S2/c1-12(22-11-13-9-7-6-8-10-13)23-16(19-21)14(15(20)18-5)17(2,3)4/h6-10,12,14,21H,11H2,1-5H3,(H,18,20)/b19-16+