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

Systemtic Name: 5-bromanyl-N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloranyl-benzamide Openeye Name: 5-bromo-N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloro-benzamide CAS Name: 5-bromo-N-[[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-chlorobenzamide IUPAC Name: 5-bromo-N-[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chlorobenzamide Traditional Name: 5-bromo-N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-chloro-benzamide Formula: C21H11Br2ClIN3O2S MolecularWeight: 691.56141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H11Br2ClIN3O2S/c22-10-1-5-16(24)14(7-10)19(29)28-21(31)26-12-3-6-18-17(9-12)27-20(30-18)13-8-11(25)2-4-15(13)23/h1-9H,(H2,26,28,29,31)