N-(3-chloranyl-2,6-diethyl-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C24H20ClNO4S MolecularWeight: 453.9379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C24H20ClNO4S/c1-3-14-10-12-19(25)16(4-2)22(14)26-24(28)15-9-11-18-21(13-15)31(29,30)20-8-6-5-7-17(20)23(18)27/h5-13H,3-4H2,1-2H3,(H,26,28)