3-[4-[[2-(4-dimethylaminophenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]carbamoyl]phenyl]-2-methyl-4-oxidanylidene-quinazoline-6-sulfonic acid

Systemtic Name: 3-[4-[[2-(4-dimethylaminophenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]carbamoyl]phenyl]-2-methyl-4-oxidanylidene-quinazoline-6-sulfonic acid Openeye Name: 3-[4-[[2-(4-dimethylaminophenyl)-4-oxo-thiazolidin-3-yl]carbamoyl]phenyl]-2-methyl-4-oxo-quinazoline-6-sulfonic acid CAS Name: 3-[4-[[[2-(4-dimethylaminophenyl)-4-oxo-3-thiazolidinyl]amino]-oxomethyl]phenyl]-2-methyl-4-oxo-6-quinazolinesulfonic acid IUPAC Name: 3-[4-[[2-(4-dimethylaminophenyl)-4-oxo-1,3-thiazolidin-3-yl]carbamoyl]phenyl]-2-methyl-4-oxoquinazoline-6-sulfonic acid Traditional Name: 3-[4-[[2-(4-dimethylaminophenyl)-4-keto-thiazolidin-3-yl]carbamoyl]phenyl]-4-keto-2-methyl-quinazoline-6-sulfonic acid Formula: C27H25N5O6S2 MolecularWeight: 579.6473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)N1C3=CC=C(C=C3)C(=O)NN4C(SCC4=O)C5=CC=C(C=C5)N(C)C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)N1C3=CC=C(C=C3)C(=O)NN4C(SCC4=O)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C27H25N5O6S2/c1-16-28-23-13-12-21(40(36,37)38)14-22(23)26(35)31(16)20-10-4-17(5-11-20)25(34)29-32-24(33)15-39-27(32)18-6-8-19(9-7-18)30(2)3/h4-14,27H,15H2,1-3H3,(H,29,34)(H,36,37,38)