5-(4-bromophenyl)-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-2-furamide Formula: C23H18BrF3N4O4S MolecularWeight: 583.37763

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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=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H18BrF3N4O4S/c24-16-4-1-14(2-5-16)19-7-8-20(35-19)21(32)28-22(36)30-11-9-29(10-12-30)17-6-3-15(23(25,26)27)13-18(17)31(33)34/h1-8,13H,9-12H2,(H,28,32,36)