N-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-2-(4-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-2-[(4-chlorophenyl)thio]acetamide Formula: C22H16BrClN2O3S MolecularWeight: 503.79604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CSC4=CC=C(C=C4)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CSC4=CC=C(C=C4)Cl)Br

InChI

InChI=1S/C22H16BrClN2O3S/c1-28-19-8-2-13(10-17(19)23)22-26-18-11-15(5-9-20(18)29-22)25-21(27)12-30-16-6-3-14(24)4-7-16/h2-11H,12H2,1H3,(H,25,27)