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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4S3

InChI

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