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

Systemtic Name: 5-(3,4-dichlorophenyl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: 5-(3,4-dichlorophenyl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dichlorophenyl)-N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dichlorophenyl)-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dichlorophenyl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-2-furamide Formula: C23H20Cl2N4O5S MolecularWeight: 535.3997

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H20Cl2N4O5S/c1-33-15-3-5-18(19(13-15)29(31)32)27-8-10-28(11-9-27)23(35)26-22(30)21-7-6-20(34-21)14-2-4-16(24)17(25)12-14/h2-7,12-13H,8-11H2,1H3,(H,26,30,35)