5-fluoranyl-N-[(4-phenoxyphenyl)carbamothioyl]-1-benzofuran-2-carbothioamide

Systemtic Name: 5-fluoranyl-N-[(4-phenoxyphenyl)carbamothioyl]-1-benzofuran-2-carbothioamide Openeye Name: 5-fluoro-N-[(4-phenoxyphenyl)carbamothioyl]benzofuran-2-carbothioamide CAS Name: 5-fluoro-N-[(4-phenoxyanilino)-sulfanylidenemethyl]-2-benzofurancarbothioamide IUPAC Name: 5-fluoro-N-[(4-phenoxyphenyl)carbamothioyl]-1-benzofuran-2-carbothioamide Traditional Name: 5-fluoro-N-[(4-phenoxyphenyl)thiocarbamoyl]thiocoumarilamide Formula: C22H15FN2O2S2 MolecularWeight: 422.495103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NC(=S)C3=CC4=C(O3)C=CC(=C4)F

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NC(=S)C3=CC4=C(O3)C=CC(=C4)F

InChI

InChI=1S/C22H15FN2O2S2/c23-15-6-11-19-14(12-15)13-20(27-19)21(28)25-22(29)24-16-7-9-18(10-8-16)26-17-4-2-1-3-5-17/h1-13H,(H2,24,25,28,29)