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

Systemtic Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-fluoro-benzamide Formula: C21H13BrFN3O2S MolecularWeight: 470.314223

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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=CC=C(C=C4)F)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrFN3O2S/c22-16-4-2-1-3-15(16)20-25-17-11-14(9-10-18(17)28-20)24-21(29)26-19(27)12-5-7-13(23)8-6-12/h1-11H,(H2,24,26,27,29)