N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloranyl-5-iodanyl-benzamide

Systemtic Name: N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloranyl-5-iodanyl-benzamide Openeye Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloro-5-iodo-benzamide CAS Name: N-[[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-chloro-5-iodobenzamide IUPAC Name: N-[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloro-5-iodobenzamide Traditional Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-chloro-5-iodo-benzamide Formula: C21H11BrClI2N3O2S MolecularWeight: 738.56188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl)N=C(O2)C4=C(C=CC(=C4)I)Br

Isomeric SMILES

C1=CC2=C(C=C1NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl)N=C(O2)C4=C(C=CC(=C4)I)Br

InChI

InChI=1S/C21H11BrClI2N3O2S/c22-15-4-1-10(24)7-13(15)20-27-17-9-12(3-6-18(17)30-20)26-21(31)28-19(29)14-8-11(25)2-5-16(14)23/h1-9H,(H2,26,28,29,31)