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

Systemtic Name: 4-cyano-N-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: 4-cyano-N-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-fluoro-benzamide CAS Name: 4-cyano-N-[[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: 4-cyano-N-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-fluorobenzamide Traditional Name: 4-cyano-N-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-fluoro-benzamide Formula: C24H17FN4O2S MolecularWeight: 444.480783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=C(C=C4)C#N)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=C(C=C4)C#N)F)C

InChI

InChI=1S/C24H17FN4O2S/c1-13-7-14(2)9-16(8-13)23-28-20-11-17(4-6-21(20)31-23)27-24(32)29-22(30)18-5-3-15(12-26)10-19(18)25/h3-11H,1-2H3,(H2,27,29,30,32)