9-[3-[4-(2-cyclohexyl-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl)piperazin-1-yl]propyl]-N-[2,2,2-tris(fluoranyl)ethyl]thioxanthene-9-carboxamide

Systemtic Name: 9-[3-[4-(2-cyclohexyl-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl)piperazin-1-yl]propyl]-N-[2,2,2-tris(fluoranyl)ethyl]thioxanthene-9-carboxamide Openeye Name: 9-[3-[4-(2-cyclohexyl-1-oxo-3,4-dihydroisoquinolin-7-yl)piperazin-1-yl]propyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide CAS Name: 9-[3-[4-(2-cyclohexyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1-piperazinyl]propyl]-N-(2,2,2-trifluoroethyl)-9-thioxanthenecarboxamide IUPAC Name: 9-[3-[4-(2-cyclohexyl-1-oxo-3,4-dihydroisoquinolin-7-yl)piperazin-1-yl]propyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Traditional Name: 9-[3-[4-(2-cyclohexyl-1-keto-3,4-dihydroisoquinolin-7-yl)piperazino]propyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Formula: C38H43F3N4O2S MolecularWeight: 676.83383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCCC5(C6=CC=CC=C6SC7=CC=CC=C75)C(=O)NCC(F)(F)F

Isomeric SMILES

C1CCC(CC1)N2CCC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCCC5(C6=CC=CC=C6SC7=CC=CC=C75)C(=O)NCC(F)(F)F

InChI

InChI=1S/C38H43F3N4O2S/c39-38(40,41)26-42-36(47)37(31-11-4-6-13-33(31)48-34-14-7-5-12-32(34)37)18-8-19-43-21-23-44(24-22-43)29-16-15-27-17-20-45(35(46)30(27)25-29)28-9-2-1-3-10-28/h4-7,11-16,25,28H,1-3,8-10,17-24,26H2,(H,42,47)