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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC(=C(C=C2)OC)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC(=C(C=C2)OC)Br)C3=NC4=CC=CC=C4S3

InChI

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