5-bromanyl-2-chloranyl-N-[[2-(2-chloranyl-4-fluoranyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[2-(2-chloranyl-4-fluoranyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C21H11BrCl2FN3O2S MolecularWeight: 539.204343

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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=C(C=C4)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H11BrCl2FN3O2S/c22-10-1-5-15(23)14(7-10)19(29)28-21(31)26-12-3-6-18-17(9-12)27-20(30-18)13-4-2-11(25)8-16(13)24/h1-9H,(H2,26,28,29,31)