2,3-bis(chloranyl)-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 2,3-bis(chloranyl)-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 2,3-dichloro-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 2,3-dichloro-N-[[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,3-dichloro-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 2,3-dichloro-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C21H12Cl2FN3O2S MolecularWeight: 460.308283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)Cl)Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)Cl)Cl)F

InChI

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