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

Systemtic Name: N-[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-2-[(4-chlorophenyl)thio]acetamide Formula: C21H13BrClIN2O2S MolecularWeight: 599.66659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1SCC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br)Cl

InChI

InChI=1S/C21H13BrClIN2O2S/c22-17-7-3-13(24)9-16(17)21-26-18-10-14(4-8-19(18)28-21)25-20(27)11-29-15-5-1-12(23)2-6-15/h1-10H,11H2,(H,25,27)