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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl

InChI

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