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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-(2-methyl-1,3-benzothiazol-6-yl)thioxanthene-3-carboxamide Formula: C22H14N2O4S2 MolecularWeight: 434.48756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C22H14N2O4S2/c1-12-23-17-9-7-14(11-18(17)29-12)24-22(26)13-6-8-16-20(10-13)30(27,28)19-5-3-2-4-15(19)21(16)25/h2-11H,1H3,(H,24,26)