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

Systemtic Name: N-hexyl-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-hexyl-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-hexyl-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-hexyl-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-hexyl-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CCCCCCNC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C20H21NO4S/c1-2-3-4-7-12-21-20(23)14-10-11-16-18(13-14)26(24,25)17-9-6-5-8-15(17)19(16)22/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,21,23)