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

Systemtic Name: 4-cyano-2-fluoranyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-cyano-2-fluoro-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-cyano-2-fluoro-N-[[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-cyano-2-fluoro-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-cyano-2-fluoro-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C22H12F2N4O2S MolecularWeight: 434.418086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H12F2N4O2S/c23-14-4-2-13(3-5-14)21-27-18-10-15(6-8-19(18)30-21)26-22(31)28-20(29)16-7-1-12(11-25)9-17(16)24/h1-10H,(H2,26,28,29,31)