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

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-5-(3-chlorophenyl)furan-2-carboxamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-5-(3-chlorophenyl)furan-2-carboxamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-5-(3-chlorophenyl)-2-furancarboxamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-5-(3-chlorophenyl)furan-2-carboxamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-5-(3-chlorophenyl)-2-furamide Formula: C22H18Cl2N4O4S MolecularWeight: 505.37372

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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(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H18Cl2N4O4S/c23-15-3-1-2-14(12-15)19-6-7-20(32-19)21(29)25-22(33)27-10-8-26(9-11-27)18-5-4-16(28(30)31)13-17(18)24/h1-7,12-13H,8-11H2,(H,25,29,33)