N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-1-benzofuran-2-carboxamide Openeye Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]coumarilamide Formula: C21H17F3N4O4S MolecularWeight: 478.44429

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=S)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H17F3N4O4S/c22-21(23,24)14-5-6-15(16(12-14)28(30)31)26-7-9-27(10-8-26)20(33)25-19(29)18-11-13-3-1-2-4-17(13)32-18/h1-6,11-12H,7-10H2,(H,25,29,33)