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

Systemtic Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C24H20FN3O2S MolecularWeight: 433.497903

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H20FN3O2S/c1-3-15-5-11-21-20(12-15)26-23(30-21)17-6-4-14(2)19(13-17)27-24(31)28-22(29)16-7-9-18(25)10-8-16/h4-13H,3H2,1-2H3,(H2,27,28,29,31)