5-bromanyl-N-[(3-phenoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(3-phenoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: 5-bromo-N-[(3-phenoxyphenyl)carbamothioyl]benzofuran-2-carboxamide CAS Name: 5-bromo-N-[(3-phenoxyanilino)-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: 5-bromo-N-[(3-phenoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: 5-bromo-N-[(3-phenoxyphenyl)thiocarbamoyl]coumarilamide Formula: C22H15BrN2O3S MolecularWeight: 467.3351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrN2O3S/c23-15-9-10-19-14(11-15)12-20(28-19)21(26)25-22(29)24-16-5-4-8-18(13-16)27-17-6-2-1-3-7-17/h1-13H,(H2,24,25,26,29)