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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-9,10,10-tris(oxidanylidene)-N-(oxolan-2-ylmethyl)thioxanthene-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-9,10,10-trioxo-N-(tetrahydrofuran-2-ylmethyl)thioxanthene-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-9,10,10-trioxo-N-(2-oxolanylmethyl)-3-thioxanthenecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-9,10,10-trioxo-N-(oxolan-2-ylmethyl)thioxanthene-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-9,10,10-triketo-N-(tetrahydrofurfuryl)thioxanthene-3-carboxamide Formula: C26H20N2O5S2 MolecularWeight: 504.5774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

Isomeric SMILES

C1CC(OC1)CN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

InChI

InChI=1S/C26H20N2O5S2/c29-24-18-7-1-4-10-22(18)35(31,32)23-14-16(11-12-19(23)24)25(30)28(15-17-6-5-13-33-17)26-27-20-8-2-3-9-21(20)34-26/h1-4,7-12,14,17H,5-6,13,15H2