N-(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C22H13ClN2O4S2 MolecularWeight: 468.93262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

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