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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]-2-(3,4-dimethylphenoxy)ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-2-(3,4-dimethylphenoxy)acetamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-2-(3,4-dimethylphenoxy)acetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-2-(3,4-dimethylphenoxy)acetamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-2-(3,4-dimethylphenoxy)acetamide Formula: C23H19BrN2O2S MolecularWeight: 467.37816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN2O2S/c1-14-7-9-17(11-15(14)2)28-13-22(27)25-19-10-8-16(24)12-18(19)23-26-20-5-3-4-6-21(20)29-23/h3-12H,13H2,1-2H3,(H,25,27)