9,10,10-tris(oxidanylidene)-N-(2-pyrrolidin-1-ylbutyl)thioxanthene-3-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-(2-pyrrolidin-1-ylbutyl)thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-(2-pyrrolidin-1-ylbutyl)thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-[2-(1-pyrrolidinyl)butyl]-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-(2-pyrrolidin-1-ylbutyl)thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-(2-pyrrolidinobutyl)thioxanthene-3-carboxamide Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O)N4CCCC4

Isomeric SMILES

CCC(CNC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O)N4CCCC4

InChI

InChI=1S/C22H24N2O4S/c1-2-16(24-11-5-6-12-24)14-23-22(26)15-9-10-18-20(13-15)29(27,28)19-8-4-3-7-17(19)21(18)25/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3,(H,23,26)