N-(4-benzamido-2,5-dimethoxy-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(4-benzamido-2,5-dimethoxy-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(4-benzamido-2,5-dimethoxy-phenyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(4-benzamido-2,5-dimethoxyphenyl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(4-benzamido-2,5-dimethoxyphenyl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(4-benzamido-2,5-dimethoxy-phenyl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C29H22N2O7S MolecularWeight: 542.55918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C29H22N2O7S/c1-37-23-16-22(24(38-2)15-21(23)30-28(33)17-8-4-3-5-9-17)31-29(34)18-12-13-20-26(14-18)39(35,36)25-11-7-6-10-19(25)27(20)32/h3-16H,1-2H3,(H,30,33)(H,31,34)