(5E)-3-(1,3-benzodioxol-5-yl)-5-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5E)-3-(1,3-benzodioxol-5-yl)-5-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-(1,3-benzodioxol-5-yl)-5-[[3-nitro-4-(1-piperidyl)phenyl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-(1,3-benzodioxol-5-yl)-5-[[3-nitro-4-(1-piperidinyl)phenyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-(1,3-benzodioxol-5-yl)-5-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-(1,3-benzodioxol-5-yl)-5-(3-nitro-4-piperidino-benzylidene)-2-thioxo-thiazolidin-4-one Formula: C22H19N3O5S2 MolecularWeight: 469.53336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5S2/c26-21-20(32-22(31)24(21)15-5-7-18-19(12-15)30-13-29-18)11-14-4-6-16(17(10-14)25(27)28)23-8-2-1-3-9-23/h4-7,10-12H,1-3,8-9,13H2/b20-11+