S-(1H-benzimidazol-2-ylmethyl) 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate

Systemtic Name: S-(1H-benzimidazol-2-ylmethyl) 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate Openeye Name: S-(1H-benzimidazol-2-ylmethyl) 3,5-ditert-butyl-4-hydroxy-benzenecarbothioate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenecarbothioic acid S-(1H-benzimidazol-2-ylmethyl) ester IUPAC Name: S-(1H-benzimidazol-2-ylmethyl) 3,5-ditert-butyl-4-hydroxybenzenecarbothioate Traditional Name: 3,5-ditert-butyl-4-hydroxy-thiobenzoic acid S-(1H-benzimidazol-2-ylmethyl) ester Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C23H28N2O2S/c1-22(2,3)15-11-14(12-16(20(15)26)23(4,5)6)21(27)28-13-19-24-17-9-7-8-10-18(17)25-19/h7-12,26H,13H2,1-6H3,(H,24,25)