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

Systemtic Name: 5-(3-chlorophenyl)-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: 5-(3-chlorophenyl)-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]furan-2-carboxamide CAS Name: 5-(3-chlorophenyl)-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chlorophenyl)-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]furan-2-carboxamide Traditional Name: 5-(3-chlorophenyl)-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-2-furamide Formula: C26H26ClN5O5S MolecularWeight: 556.03314

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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=CC(=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN5O5S/c27-19-3-1-2-18(16-19)23-6-7-24(37-23)25(33)28-26(38)31-10-8-29(9-11-31)20-4-5-21(32(34)35)22(17-20)30-12-14-36-15-13-30/h1-7,16-17H,8-15H2,(H,28,33,38)