9,10,10-tris(oxidanylidene)-N-[(3,4,5-trimethoxyphenyl)methyl]thioxanthene-3-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-[(3,4,5-trimethoxyphenyl)methyl]thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-[(3,4,5-trimethoxyphenyl)methyl]thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-[(3,4,5-trimethoxyphenyl)methyl]-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-[(3,4,5-trimethoxyphenyl)methyl]thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-(3,4,5-trimethoxybenzyl)thioxanthene-3-carboxamide Formula: C24H21NO7S MolecularWeight: 467.49104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C24H21NO7S/c1-30-18-10-14(11-19(31-2)23(18)32-3)13-25-24(27)15-8-9-17-21(12-15)33(28,29)20-7-5-4-6-16(20)22(17)26/h4-12H,13H2,1-3H3,(H,25,27)