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

Systemtic Name: N-[[4-chloranyl-3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C21H12Cl2FN3O2S MolecularWeight: 460.308283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=C(O3)C=CC(=C4)Cl)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=C(O3)C=CC(=C4)Cl)F

InChI

InChI=1S/C21H12Cl2FN3O2S/c22-12-3-8-18-17(9-12)26-20(29-18)15-10-14(6-7-16(15)23)25-21(30)27-19(28)11-1-4-13(24)5-2-11/h1-10H,(H2,25,27,28,30)