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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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