N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-isobutyl-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-isobutyl-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C25H20N2O4S2 MolecularWeight: 476.5673

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

CC(C)CN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C25H20N2O4S2/c1-15(2)14-27(25-26-19-8-4-5-9-20(19)32-25)24(29)16-11-12-18-22(13-16)33(30,31)21-10-6-3-7-17(21)23(18)28/h3-13,15H,14H2,1-2H3