2-(4-bromanylphenoxy)-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]acetamide Formula: C22H15BrFN3O3S MolecularWeight: 500.340203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC(=C1)F)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H15BrFN3O3S/c23-14-4-7-17(8-5-14)29-12-20(28)27-22(31)25-16-6-9-19-18(11-16)26-21(30-19)13-2-1-3-15(24)10-13/h1-11H,12H2,(H2,25,27,28,31)