3-[(5E)-4-oxidanylidene-5-[(4-piperidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

Systemtic Name: 3-[(5E)-4-oxidanylidene-5-[(4-piperidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[(5E)-4-oxo-5-[[4-(1-piperidyl)phenyl]methylene]-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[(5E)-4-oxo-5-[[4-(1-piperidinyl)phenyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[(5E)-4-oxo-5-[(4-piperidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[(5E)-4-keto-5-(4-piperidinobenzylidene)-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C22H20N2O3S2 MolecularWeight: 424.5358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C=C3C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H20N2O3S2/c25-20-19(13-15-7-9-17(10-8-15)23-11-2-1-3-12-23)29-22(28)24(20)18-6-4-5-16(14-18)21(26)27/h4-10,13-14H,1-3,11-12H2,(H,26,27)/b19-13+