N-cyclooctyl-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-cyclooctyl-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-cyclooctyl-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-cyclooctyl-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-cyclooctyl-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-cyclooctyl-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C22H23NO4S MolecularWeight: 397.48732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C22H23NO4S/c24-21-17-10-6-7-11-19(17)28(26,27)20-14-15(12-13-18(20)21)22(25)23-16-8-4-2-1-3-5-9-16/h6-7,10-14,16H,1-5,8-9H2,(H,23,25)