N-(2,2-dimethylpropyl)-9,10,10-tris(oxidanylidene)-6-pyrrolidin-1-yl-thioxanthene-1-carboxamide

Systemtic Name: N-(2,2-dimethylpropyl)-9,10,10-tris(oxidanylidene)-6-pyrrolidin-1-yl-thioxanthene-1-carboxamide Openeye Name: N-(2,2-dimethylpropyl)-9,10,10-trioxo-6-pyrrolidin-1-yl-thioxanthene-1-carboxamide CAS Name: N-(2,2-dimethylpropyl)-9,10,10-trioxo-6-(1-pyrrolidinyl)-1-thioxanthenecarboxamide IUPAC Name: N-(2,2-dimethylpropyl)-9,10,10-trioxo-6-pyrrolidin-1-ylthioxanthene-1-carboxamide Traditional Name: 9,10,10-triketo-N-neopentyl-6-pyrrolidino-thioxanthene-1-carboxamide Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC(=O)C1=C2C(=CC=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)N4CCCC4

Isomeric SMILES

CC(C)(C)CNC(=O)C1=C2C(=CC=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)N4CCCC4

InChI

InChI=1S/C23H26N2O4S/c1-23(2,3)14-24-22(27)17-7-6-8-18-20(17)21(26)16-10-9-15(25-11-4-5-12-25)13-19(16)30(18,28)29/h6-10,13H,4-5,11-12,14H2,1-3H3,(H,24,27)