5-[[5-(3-nitro-4-piperidin-1-yl-phenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[5-(3-nitro-4-piperidin-1-yl-phenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[5-[3-nitro-4-(1-piperidyl)phenyl]-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[5-[3-nitro-4-(1-piperidinyl)phenyl]-2-furanyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[5-(3-nitro-4-piperidin-1-ylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[5-(3-nitro-4-piperidino-phenyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C3=CC=C(O3)C=C4C(=O)NC(=S)NC4=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C3=CC=C(O3)C=C4C(=O)NC(=S)NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5S/c25-18-14(19(26)22-20(30)21-18)11-13-5-7-17(29-13)12-4-6-15(16(10-12)24(27)28)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9H2,(H2,21,22,25,26,30)