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

Systemtic Name: 1-[4-[(3-cyclopentyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[(3-cyclopentyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-[(3-cyclopentyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[(3-cyclopentyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]benzoyl]isonipecotic acid Formula: C22H24N2O4S2 MolecularWeight: 444.56696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)N4CCC(CC4)C(=O)O)SC2=S

Isomeric SMILES

C1CCC(C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)N4CCC(CC4)C(=O)O)SC2=S

InChI

InChI=1S/C22H24N2O4S2/c25-19(23-11-9-16(10-12-23)21(27)28)15-7-5-14(6-8-15)13-18-20(26)24(22(29)30-18)17-3-1-2-4-17/h5-8,13,16-17H,1-4,9-12H2,(H,27,28)