5-[2,3-bis(chloranyl)phenyl]-N-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide

Systemtic Name: 5-[2,3-bis(chloranyl)phenyl]-N-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: N-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide CAS Name: N-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-5-(2,3-dichlorophenyl)-2-furancarboxamide IUPAC Name: N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide Traditional Name: N-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]-5-(2,3-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)Cl)[N+](=O)[O-])C(=S)NC(=O)C3=CC=C(O3)C4=C(C(=CC=C4)Cl)Cl

Isomeric SMILES

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

InChI

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