N-[4-bromanyl-2-(2-chlorophenyl)carbonyl-phenyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[4-bromanyl-2-(2-chlorophenyl)carbonyl-phenyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[4-bromo-2-[(2-chlorophenyl)-oxomethyl]phenyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,3-benzothiazole-6-carboxamide Formula: C21H12BrClN2O2S MolecularWeight: 471.75418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)C3=CC4=C(C=C3)N=CS4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)C3=CC4=C(C=C3)N=CS4)Cl

InChI

InChI=1S/C21H12BrClN2O2S/c22-13-6-8-17(15(10-13)20(26)14-3-1-2-4-16(14)23)25-21(27)12-5-7-18-19(9-12)28-11-24-18/h1-11H,(H,25,27)