6-[(5E)-4-oxidanylidene-5-[(4-piperidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[(5E)-4-oxidanylidene-5-[(4-piperidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[(5E)-4-oxo-5-[[4-(1-piperidyl)phenyl]methylene]-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[(5E)-4-oxo-5-[[4-(1-piperidinyl)phenyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[(5E)-4-oxo-5-[(4-piperidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[(5E)-4-keto-5-(4-piperidinobenzylidene)-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c24-19(25)7-3-1-6-14-23-20(26)18(28-21(23)27)15-16-8-10-17(11-9-16)22-12-4-2-5-13-22/h8-11,15H,1-7,12-14H2,(H,24,25)/b18-15+