6-chloranyl-9,10,10-tris(oxidanylidene)-N-(3-propan-2-yloxypropyl)thioxanthene-1-carboxamide

Systemtic Name: 6-chloranyl-9,10,10-tris(oxidanylidene)-N-(3-propan-2-yloxypropyl)thioxanthene-1-carboxamide Openeye Name: 6-chloro-N-(3-isopropoxypropyl)-9,10,10-trioxo-thioxanthene-1-carboxamide CAS Name: 6-chloro-9,10,10-trioxo-N-(3-propan-2-yloxypropyl)-1-thioxanthenecarboxamide IUPAC Name: 6-chloro-9,10,10-trioxo-N-(3-propan-2-yloxypropyl)thioxanthene-1-carboxamide Traditional Name: 6-chloro-N-(3-isopropoxypropyl)-9,10,10-triketo-thioxanthene-1-carboxamide Formula: C20H20ClNO5S MolecularWeight: 421.8945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C1=C2C(=CC=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)Cl

Isomeric SMILES

CC(C)OCCCNC(=O)C1=C2C(=CC=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)Cl

InChI

InChI=1S/C20H20ClNO5S/c1-12(2)27-10-4-9-22-20(24)15-5-3-6-16-18(15)19(23)14-8-7-13(21)11-17(14)28(16,25)26/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,22,24)