N-(2,4-dimethylphenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(2,4-dimethylphenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(2,4-dimethylphenyl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(2,4-dimethylphenyl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C22H17NO4S MolecularWeight: 391.43968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C

InChI

InChI=1S/C22H17NO4S/c1-13-7-10-18(14(2)11-13)23-22(25)15-8-9-17-20(12-15)28(26,27)19-6-4-3-5-16(19)21(17)24/h3-12H,1-2H3,(H,23,25)