7-fluoranyl-N-[(4-pentoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: 7-fluoranyl-N-[(4-pentoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: 7-fluoro-N-[(4-pentoxyphenyl)carbamothioyl]benzofuran-2-carboxamide CAS Name: 7-fluoro-N-[(4-pentoxyanilino)-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: 7-fluoro-N-[(4-pentoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-7-fluoro-coumarilamide Formula: C21H21FN2O3S MolecularWeight: 400.466443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)C(=CC=C3)F

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)C(=CC=C3)F

InChI

InChI=1S/C21H21FN2O3S/c1-2-3-4-12-26-16-10-8-15(9-11-16)23-21(28)24-20(25)18-13-14-6-5-7-17(22)19(14)27-18/h5-11,13H,2-4,12H2,1H3,(H2,23,24,25,28)