N-[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-2-(3-methylphenoxy)acetamide Formula: C22H17BrN2O2S MolecularWeight: 453.35158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4S3

InChI

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