3-tert-butyl-N-[3-(isoquinolin-4-ylmethylsulfanyl)phenyl]-4-oxidanyl-benzamide

Systemtic Name: 3-tert-butyl-N-[3-(isoquinolin-4-ylmethylsulfanyl)phenyl]-4-oxidanyl-benzamide Openeye Name: 3-tert-butyl-4-hydroxy-N-[3-(4-isoquinolylmethylsulfanyl)phenyl]benzamide CAS Name: 3-tert-butyl-4-hydroxy-N-[3-(4-isoquinolinylmethylthio)phenyl]benzamide IUPAC Name: 3-tert-butyl-4-hydroxy-N-[3-(isoquinolin-4-ylmethylsulfanyl)phenyl]benzamide Traditional Name: 3-tert-butyl-4-hydroxy-N-[3-(4-isoquinolylmethylthio)phenyl]benzamide Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)SCC3=CN=CC4=CC=CC=C43)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)SCC3=CN=CC4=CC=CC=C43)O

InChI

InChI=1S/C27H26N2O2S/c1-27(2,3)24-13-18(11-12-25(24)30)26(31)29-21-8-6-9-22(14-21)32-17-20-16-28-15-19-7-4-5-10-23(19)20/h4-16,30H,17H2,1-3H3,(H,29,31)