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

Systemtic Name: N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-pentoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]coumarilamide Formula: C22H21F3N2O3S MolecularWeight: 450.47395

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H21F3N2O3S/c1-2-3-6-11-29-18-10-9-15(13-16(18)22(23,24)25)26-21(31)27-20(28)19-12-14-7-4-5-8-17(14)30-19/h4-5,7-10,12-13H,2-3,6,11H2,1H3,(H2,26,27,28,31)