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

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-5-(2,4-dichlorophenyl)furan-2-carboxamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-5-(2,4-dichlorophenyl)-2-furancarboxamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-5-(2,4-dichlorophenyl)-2-furamide Formula: C22H17Cl3N4O4S MolecularWeight: 539.81878

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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=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H17Cl3N4O4S/c23-13-1-3-15(16(24)11-13)19-5-6-20(33-19)21(30)26-22(34)28-9-7-27(8-10-28)18-4-2-14(29(31)32)12-17(18)25/h1-6,11-12H,7-10H2,(H,26,30,34)