phenylsulfanylmethyl (1Z)-3-methyl-2-(methylcarbamoyl)-N-oxidanyl-3-(phenylsulfanylmethylsulfanyl)butanimidothioate

Systemtic Name: phenylsulfanylmethyl (1Z)-3-methyl-2-(methylcarbamoyl)-N-oxidanyl-3-(phenylsulfanylmethylsulfanyl)butanimidothioate Openeye Name: phenylsulfanylmethyl (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)-3-(phenylsulfanylmethylsulfanyl)butanimidothioate CAS Name: (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)-3-[(phenylthio)methylthio]butanimidothioic acid (phenylthio)methyl ester IUPAC Name: phenylsulfanylmethyl (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)-3-(phenylsulfanylmethylsulfanyl)butanimidothioate Traditional Name: (1Z)-N-hydroxy-3-methyl-2-(methylcarbamoyl)-3-[(phenylthio)methylthio]thiobutyrimidic acid (phenylthio)methyl ester Formula: C21H26N2O2S4 MolecularWeight: 466.70334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)NC)C(=NO)SCSC1=CC=CC=C1)SCSC2=CC=CC=C2

Isomeric SMILES

CC(C)(C(C(=O)NC)/C(=N/O)/SCSC1=CC=CC=C1)SCSC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2S4/c1-21(2,29-15-27-17-12-8-5-9-13-17)18(19(24)22-3)20(23-25)28-14-26-16-10-6-4-7-11-16/h4-13,18,25H,14-15H2,1-3H3,(H,22,24)/b23-20-