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

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-[2-(methylthio)-1,3-benzothiazol-6-yl]thioxanthene-3-carboxamide Formula: C22H14N2O4S3 MolecularWeight: 466.55256

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

CSC1=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/C22H14N2O4S3/c1-29-22-24-16-9-7-13(11-17(16)30-22)23-21(26)12-6-8-15-19(10-12)31(27,28)18-5-3-2-4-14(18)20(15)25/h2-11H,1H3,(H,23,26)