N-[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]-3-methyl-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]-3-methyl-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-3-methyl-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-3-methylbenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-3-methylbenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-3-methyl-benzamide Formula: C21H15BrN2OS MolecularWeight: 423.3256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN2OS/c1-13-5-4-6-14(11-13)20(25)23-17-10-9-15(22)12-16(17)21-24-18-7-2-3-8-19(18)26-21/h2-12H,1H3,(H,23,25)