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

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)thioxanthene-3-carboxamide Formula: C25H19N3O4S2 MolecularWeight: 489.56606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

InChI

InChI=1S/C25H19N3O4S2/c29-23-17-5-1-2-6-21(17)34(31,32)22-13-15(7-9-18(22)23)24(30)26-16-8-10-19-20(14-16)33-25(27-19)28-11-3-4-12-28/h1-2,5-10,13-14H,3-4,11-12H2,(H,26,30)