N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-5-bromanyl-2-methoxy-benzamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-5-bromanyl-2-methoxy-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-5-bromo-2-methoxy-benzamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-5-bromo-2-methoxybenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-5-bromo-2-methoxybenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)benzyl]-5-bromo-2-methoxy-benzamide Formula: C22H17BrN2O2S MolecularWeight: 453.35158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17BrN2O2S/c1-27-19-11-10-16(23)12-17(19)21(26)24-13-14-6-8-15(9-7-14)22-25-18-4-2-3-5-20(18)28-22/h2-12H,13H2,1H3,(H,24,26)