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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C21H12N2O4S2 MolecularWeight: 420.46098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H12N2O4S2/c24-19-13-5-1-4-8-17(13)29(26,27)18-11-12(9-10-14(18)19)20(25)23-21-22-15-6-2-3-7-16(15)28-21/h1-11H,(H,22,23,25)