1-[2-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone

Systemtic Name: 1-[2-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Openeye Name: 1-[2-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone CAS Name: 1-[2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone IUPAC Name: 1-[2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Traditional Name: 1-[2-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC2=CC=CC=C21)C3=CC=CC=C3OCC(CNC(C)(C)C)O

Isomeric SMILES

CC(=O)N1C(SC2=CC=CC=C21)C3=CC=CC=C3OCC(CNC(C)(C)C)O

InChI

InChI=1S/C22H28N2O3S/c1-15(25)24-18-10-6-8-12-20(18)28-21(24)17-9-5-7-11-19(17)27-14-16(26)13-23-22(2,3)4/h5-12,16,21,23,26H,13-14H2,1-4H3