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

Systemtic Name: 2-bromanyl-N-[[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C21H12BrClIN3O2S MolecularWeight: 612.66535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12BrClIN3O2S/c22-15-4-2-1-3-13(15)19(28)27-21(30)25-12-6-8-18-17(10-12)26-20(29-18)14-9-11(24)5-7-16(14)23/h1-10H,(H2,25,27,28,30)