N-(5-acetamido-2-methoxy-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C23H18N2O6S MolecularWeight: 450.46382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C23H18N2O6S/c1-13(26)24-15-8-10-19(31-2)18(12-15)25-23(28)14-7-9-17-21(11-14)32(29,30)20-6-4-3-5-16(20)22(17)27/h3-12H,1-2H3,(H,24,26)(H,25,28)