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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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