9,10,10-tris(oxidanylidene)-N-(3-pyrrolidin-1-ylcarbonylphenyl)thioxanthene-3-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-(3-pyrrolidin-1-ylcarbonylphenyl)thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-[3-[oxo(1-pyrrolidinyl)methyl]phenyl]-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-[3-(pyrrolidine-1-carbonyl)phenyl]thioxanthene-3-carboxamide Formula: C25H20N2O5S MolecularWeight: 460.5017

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C25H20N2O5S/c28-23-19-8-1-2-9-21(19)33(31,32)22-15-16(10-11-20(22)23)24(29)26-18-7-5-6-17(14-18)25(30)27-12-3-4-13-27/h1-2,5-11,14-15H,3-4,12-13H2,(H,26,29)