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

Systemtic Name: 5-(2,4-dichlorophenyl)-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: 5-(2,4-dichlorophenyl)-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]furan-2-carboxamide CAS Name: 5-(2,4-dichlorophenyl)-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(2,4-dichlorophenyl)-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]furan-2-carboxamide Traditional Name: 5-(2,4-dichlorophenyl)-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-2-furamide Formula: C26H25Cl2N5O5S MolecularWeight: 590.4782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)C4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)C4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C26H25Cl2N5O5S/c27-17-1-3-19(20(28)15-17)23-5-6-24(38-23)25(34)29-26(39)32-9-7-30(8-10-32)18-2-4-21(33(35)36)22(16-18)31-11-13-37-14-12-31/h1-6,15-16H,7-14H2,(H,29,34,39)