4-oxidanylidene-3-[2-oxidanylidene-2-[2-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)ethylamino]ethyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[2-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)ethylamino]ethyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[2-oxo-2-[2-(4-oxo-2-thioxo-thiazolidin-3-yl)ethylamino]ethyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-[2-(4-oxo-2-sulfanylidene-3-thiazolidinyl)ethylamino]ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[2-oxo-2-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethylamino]ethyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[2-(4-keto-2-thioxo-thiazolidin-3-yl)ethylamino]ethyl]phthalazine-1-carboxylic acid Formula: C16H14N4O5S2 MolecularWeight: 406.43616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=S)S1)CCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

C1C(=O)N(C(=S)S1)CCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C16H14N4O5S2/c21-11(17-5-6-19-12(22)8-27-16(19)26)7-20-14(23)10-4-2-1-3-9(10)13(18-20)15(24)25/h1-4H,5-8H2,(H,17,21)(H,24,25)