1-[6-[4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(5-benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)hexanoyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-6-[4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]hexyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(5-benzal-4-keto-2-thioxo-thiazolidin-3-yl)hexanoyl]isonipecotic acid Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CCCCCN2C(=O)C(=CC3=CC=CC=C3)SC2=S

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CCCCCN2C(=O)C(=CC3=CC=CC=C3)SC2=S

InChI

InChI=1S/C22H26N2O4S2/c25-19(23-13-10-17(11-14-23)21(27)28)9-5-2-6-12-24-20(26)18(30-22(24)29)15-16-7-3-1-4-8-16/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H,27,28)