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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H15BrN2OS/c22-17-11-9-15(10-12-17)20(25)23-13-14-5-7-16(8-6-14)21-24-18-3-1-2-4-19(18)26-21/h1-12H,13H2,(H,23,25)