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

Systemtic Name: N-heptan-2-yl-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(1-methylhexyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-heptan-2-yl-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-heptan-2-yl-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-(1-methylhexyl)thioxanthene-3-carboxamide Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CCCCCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C21H23NO4S/c1-3-4-5-8-14(2)22-21(24)15-11-12-17-19(13-15)27(25,26)18-10-7-6-9-16(18)20(17)23/h6-7,9-14H,3-5,8H2,1-2H3,(H,22,24)