N-[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]-2-(4-bromanylphenoxy)ethanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]-2-(4-bromanylphenoxy)ethanamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]-2-(4-bromophenoxy)acetamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-2-(4-bromophenoxy)acetamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-2-(4-bromophenoxy)acetamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]-2-(4-bromophenoxy)acetamide Formula: C21H14BrClN2O2S MolecularWeight: 473.77006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)NC(=O)COC4=CC=C(C=C4)Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)NC(=O)COC4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C21H14BrClN2O2S/c22-13-5-8-15(9-6-13)27-12-20(26)24-14-7-10-16(17(23)11-14)21-25-18-3-1-2-4-19(18)28-21/h1-11H,12H2,(H,24,26)