N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]furan-3-carboxamide

Systemtic Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]furan-3-carboxamide Openeye Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]furan-3-carboxamide CAS Name: N-[[2-(1-azocanyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-furancarboxamide IUPAC Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]furan-3-carboxamide Traditional Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]thiocarbamoyl]-3-furamide Formula: C20H22F3N3O2S MolecularWeight: 425.46779

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=COC=C3

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=COC=C3

InChI

InChI=1S/C20H22F3N3O2S/c21-20(22,23)15-6-7-17(26-9-4-2-1-3-5-10-26)16(12-15)24-19(29)25-18(27)14-8-11-28-13-14/h6-8,11-13H,1-5,9-10H2,(H2,24,25,27,29)