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

Systemtic Name: N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(3-fluoro-4-pentoxy-phenyl)carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[(3-fluoro-4-pentoxyanilino)-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(4-amoxy-3-fluoro-phenyl)thiocarbamoyl]coumarilamide Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)F

InChI

InChI=1S/C21H21FN2O3S/c1-2-3-6-11-26-18-10-9-15(13-16(18)22)23-21(28)24-20(25)19-12-14-7-4-5-8-17(14)27-19/h4-5,7-10,12-13H,2-3,6,11H2,1H3,(H2,23,24,25,28)