N-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-fluoranyl-benzamide Openeye Name: N-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-fluoro-benzamide CAS Name: N-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-1,3-benzothiazol-6-yl]-2-fluorobenzamide IUPAC Name: N-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-fluorobenzamide Traditional Name: N-[2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1,3-benzothiazol-6-yl]-2-fluoro-benzamide Formula: C27H27FN2OS2 MolecularWeight: 478.644483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4F)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4F)C)C(C)(C)C

InChI

InChI=1S/C27H27FN2OS2/c1-16-12-18(27(3,4)5)13-17(2)21(16)15-32-26-30-23-11-10-19(14-24(23)33-26)29-25(31)20-8-6-7-9-22(20)28/h6-14H,15H2,1-5H3,(H,29,31)