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

Systemtic Name: 4-tert-butyl-N-[2-[(3-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-tert-butyl-N-[2-[(3-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-tert-butyl-N-[2-[(3-fluorophenyl)methylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[(3-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-tert-butyl-N-[2-[(3-fluorobenzyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C25H23FN2OS2 MolecularWeight: 450.591323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC(=CC=C4)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC(=CC=C4)F

InChI

InChI=1S/C25H23FN2OS2/c1-25(2,3)18-9-7-17(8-10-18)23(29)27-20-11-12-21-22(14-20)31-24(28-21)30-15-16-5-4-6-19(26)13-16/h4-14H,15H2,1-3H3,(H,27,29)