N-[3-(2-methylpropoxy)propyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-[3-(2-methylpropoxy)propyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(3-isobutoxypropyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[3-(2-methylpropoxy)propyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-[3-(2-methylpropoxy)propyl]-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(3-isobutoxypropyl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-14(2)13-27-11-5-10-22-21(24)15-8-9-17-19(12-15)28(25,26)18-7-4-3-6-16(18)20(17)23/h3-4,6-9,12,14H,5,10-11,13H2,1-2H3,(H,22,24)