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

Systemtic Name: N-[[2-(2-chloranyl-4-fluoranyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-cyano-2-fluoro-benzamide CAS Name: N-[[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-cyano-2-fluorobenzamide Traditional Name: N-[[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-cyano-2-fluoro-benzamide Formula: C22H11ClF2N4O2S MolecularWeight: 468.863146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)F)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1C#N)F)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C22H11ClF2N4O2S/c23-16-8-12(24)2-5-14(16)21-28-18-9-13(3-6-19(18)31-21)27-22(32)29-20(30)15-4-1-11(10-26)7-17(15)25/h1-9H,(H2,27,29,30,32)