1-[4-[(3-tert-butyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-[(3-tert-butyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[(3-tert-butyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-[(3-tert-butyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[(3-tert-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[(3-tert-butyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]benzoyl]isonipecotic acid Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)O)SC1=S

Isomeric SMILES

CC(C)(C)N1C(=O)C(=CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)O)SC1=S

InChI

InChI=1S/C21H24N2O4S2/c1-21(2,3)23-18(25)16(29-20(23)28)12-13-4-6-14(7-5-13)17(24)22-10-8-15(9-11-22)19(26)27/h4-7,12,15H,8-11H2,1-3H3,(H,26,27)