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

Systemtic Name: 5-(4-bromophenyl)-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-2-furamide Formula: C22H18BrClN4O4S MolecularWeight: 549.82472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrClN4O4S/c23-15-3-1-14(2-4-15)19-7-8-20(32-19)21(29)25-22(33)27-11-9-26(10-12-27)18-6-5-16(28(30)31)13-17(18)24/h1-8,13H,9-12H2,(H,25,29,33)