phenylsulfanylmethyl (1Z)-3,3-dimethyl-2-(methylcarbamoyl)-N-oxidanyl-butanimidothioate

Systemtic Name: phenylsulfanylmethyl (1Z)-3,3-dimethyl-2-(methylcarbamoyl)-N-oxidanyl-butanimidothioate Openeye Name: phenylsulfanylmethyl (1Z)-N-hydroxy-3,3-dimethyl-2-(methylcarbamoyl)butanimidothioate CAS Name: (1Z)-N-hydroxy-3,3-dimethyl-2-(methylcarbamoyl)butanimidothioic acid (phenylthio)methyl ester IUPAC Name: phenylsulfanylmethyl (1Z)-N-hydroxy-3,3-dimethyl-2-(methylcarbamoyl)butanimidothioate Traditional Name: (1Z)-N-hydroxy-3,3-dimethyl-2-(methylcarbamoyl)thiobutyrimidic acid (phenylthio)methyl ester Formula: C15H22N2O2S2 MolecularWeight: 326.47738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC)C(=NO)SCSC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(C(=O)NC)/C(=N/O)/SCSC1=CC=CC=C1

InChI

InChI=1S/C15H22N2O2S2/c1-15(2,3)12(13(18)16-4)14(17-19)21-10-20-11-8-6-5-7-9-11/h5-9,12,19H,10H2,1-4H3,(H,16,18)/b17-14-