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

Systemtic Name: 3-fluoranyl-N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-fluoro-N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3-fluoro-N-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-fluoro-N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-fluoro-N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C21H13FIN3O2S MolecularWeight: 517.314693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13FIN3O2S/c22-14-5-1-3-12(9-14)19(27)26-21(29)24-16-7-8-18-17(11-16)25-20(28-18)13-4-2-6-15(23)10-13/h1-11H,(H2,24,26,27,29)