N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-bromanyl-2-methoxy-3-methyl-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-bromanyl-2-methoxy-3-methyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-bromo-2-methoxy-3-methylbenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-bromo-2-methoxy-3-methyl-benzamide Formula: C22H17BrN2O2S MolecularWeight: 453.35158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2O2S/c1-13-10-15(23)12-17(20(13)27-2)21(26)24-16-7-5-6-14(11-16)22-25-18-8-3-4-9-19(18)28-22/h3-12H,1-2H3,(H,24,26)