N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=CS4

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=CS4

InChI

InChI=1S/C22H20N2O4S2/c1-24(2)17(18-7-5-11-29-18)13-23-22(26)14-9-10-16-20(12-14)30(27,28)19-8-4-3-6-15(19)21(16)25/h3-12,17H,13H2,1-2H3,(H,23,26)