N-(3-ethylpent-1-yn-3-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C21H19NO4S/c1-4-21(5-2,6-3)22-20(24)14-11-12-16-18(13-14)27(25,26)17-10-8-7-9-15(17)19(16)23/h1,7-13H,5-6H2,2-3H3,(H,22,24)