3-[(2Z)-2-(3-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)quinolin-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2Z)-2-(3-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)quinolin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[(2Z)-2-(3-cyclohexyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-1-quinolyl]propane-1-sulfonic acid CAS Name: 3-[(2Z)-2-(3-cyclohexyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)-1-quinolinyl]-1-propanesulfonic acid IUPAC Name: 3-[(2Z)-2-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)quinolin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[(2Z)-2-(3-cyclohexyl-4-keto-2-thioxo-thiazolidin-5-ylidene)-1-quinolyl]propane-1-sulfonic acid Formula: C21H24N2O4S3 MolecularWeight: 464.62126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=C3C=CC4=CC=CC=C4N3CCCS(=O)(=O)O)SC2=S

Isomeric SMILES

C1CCC(CC1)N2C(=O)/C(=C/3\C=CC4=CC=CC=C4N3CCCS(=O)(=O)O)/SC2=S

InChI

InChI=1S/C21H24N2O4S3/c24-20-19(29-21(28)23(20)16-8-2-1-3-9-16)18-12-11-15-7-4-5-10-17(15)22(18)13-6-14-30(25,26)27/h4-5,7,10-12,16H,1-3,6,8-9,13-14H2,(H,25,26,27)/b19-18-