N-(2-adamantyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(2-adamantyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(2-adamantyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(2-adamantyl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(2-adamantyl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(2-adamantyl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C24H23NO4S MolecularWeight: 421.50872

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

InChI

InChI=1S/C24H23NO4S/c26-23-18-3-1-2-4-20(18)30(28,29)21-12-15(5-6-19(21)23)24(27)25-22-16-8-13-7-14(10-16)11-17(22)9-13/h1-6,12-14,16-17,22H,7-11H2,(H,25,27)