N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-(4-bromanylphenoxy)ethanamide

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-(4-bromanylphenoxy)ethanamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-(4-bromophenoxy)acetamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-bromophenoxy)acetamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-bromophenoxy)acetamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-(4-bromophenoxy)acetamide Formula: C22H17BrN2O2S MolecularWeight: 453.35158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrN2O2S/c1-14-6-7-15(22-25-18-4-2-3-5-20(18)28-22)12-19(14)24-21(26)13-27-17-10-8-16(23)9-11-17/h2-12H,13H2,1H3,(H,24,26)