N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide

Systemtic Name: N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide Openeye Name: N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide CAS Name: N-[[4-pentoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2-furo[3,2-c]pyridinecarboxamide IUPAC Name: N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide Traditional Name: N-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]furo[3,2-c]pyridine-2-carboxamide Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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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=CN=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H20F3N3O3S/c1-2-3-4-9-29-17-6-5-14(11-15(17)21(22,23)24)26-20(31)27-19(28)18-10-13-12-25-8-7-16(13)30-18/h5-8,10-12H,2-4,9H2,1H3,(H2,26,27,28,31)