N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-4-methoxy-1-benzofuran-2-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-4-methoxy-1-benzofuran-2-carboxamide Openeye Name: N-[(3-fluoro-4-pentoxy-phenyl)carbamothioyl]-4-methoxy-benzofuran-2-carboxamide CAS Name: N-[(3-fluoro-4-pentoxyanilino)-sulfanylidenemethyl]-4-methoxy-2-benzofurancarboxamide IUPAC Name: N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-4-methoxy-1-benzofuran-2-carboxamide Traditional Name: N-[(4-amoxy-3-fluoro-phenyl)thiocarbamoyl]-4-methoxy-coumarilamide Formula: C22H23FN2O4S MolecularWeight: 430.492423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)C=CC=C3OC)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)C=CC=C3OC)F

InChI

InChI=1S/C22H23FN2O4S/c1-3-4-5-11-28-19-10-9-14(12-16(19)23)24-22(30)25-21(26)20-13-15-17(27-2)7-6-8-18(15)29-20/h6-10,12-13H,3-5,11H2,1-2H3,(H2,24,25,26,30)