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

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO5S/c1-25(2,3)16-10-12-20(31-4)19(14-16)26-24(28)15-9-11-18-22(13-15)32(29,30)21-8-6-5-7-17(21)23(18)27/h5-14H,1-4H3,(H,26,28)