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

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

Click to see the large picture

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=CSC=C4

Isomeric SMILES

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

InChI

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