N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C22H13ClN2O4S2 MolecularWeight: 468.93262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O)Cl

InChI

InChI=1S/C22H13ClN2O4S2/c1-11-15(23)8-9-16-19(11)24-22(30-16)25-21(27)12-6-7-14-18(10-12)31(28,29)17-5-3-2-4-13(17)20(14)26/h2-10H,1H3,(H,24,25,27)