N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C23H16N2O4S2 MolecularWeight: 448.51414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O)C

InChI

InChI=1S/C23H16N2O4S2/c1-12-9-13(2)20-17(10-12)30-23(24-20)25-22(27)14-7-8-16-19(11-14)31(28,29)18-6-4-3-5-15(18)21(16)26/h3-11H,1-2H3,(H,24,25,27)