5-(3,5-ditert-butyl-4-oxidanyl-phenyl)-N-oxidanyl-N-phenethyl-pentanethioamide

Systemtic Name: 5-(3,5-ditert-butyl-4-oxidanyl-phenyl)-N-oxidanyl-N-phenethyl-pentanethioamide Openeye Name: 5-(3,5-ditert-butyl-4-hydroxy-phenyl)-N-hydroxy-N-phenethyl-pentanethioamide CAS Name: 5-(3,5-ditert-butyl-4-hydroxyphenyl)-N-hydroxy-N-phenethylpentanethioamide IUPAC Name: 5-(3,5-ditert-butyl-4-hydroxyphenyl)-N-hydroxy-N-phenethylpentanethioamide Traditional Name: 5-(3,5-ditert-butyl-4-hydroxy-phenyl)-N-hydroxy-N-phenethyl-thiovaleramide Formula: C27H39NO2S MolecularWeight: 441.66906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCCC(=S)N(CCC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCCC(=S)N(CCC2=CC=CC=C2)O

InChI

InChI=1S/C27H39NO2S/c1-26(2,3)22-18-21(19-23(25(22)29)27(4,5)6)14-10-11-15-24(31)28(30)17-16-20-12-8-7-9-13-20/h7-9,12-13,18-19,29-30H,10-11,14-17H2,1-6H3