9-[3-[4-[2-(oxan-2-ylmethyl)-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-(oxan-2-ylmethyl)-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-[1-oxo-2-(tetrahydropyran-2-ylmethyl)-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide CAS Name: 9-[3-[4-[2-(2-oxanylmethyl)-1-oxo-3,4-dihydroisoquinolin-7-yl]-1-piperazinyl]propyl]-N-(2,2,2-trifluoroethyl)-9-thioxanthenecarboxamide IUPAC Name: 9-[3-[4-[2-(oxan-2-ylmethyl)-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Traditional Name: 9-[3-[4-[1-keto-2-(tetrahydropyran-2-ylmethyl)-3,4-dihydroisoquinolin-7-yl]piperazino]propyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Formula: C38H43F3N4O3S MolecularWeight: 692.83323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CN2CCC3=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

C1CCOC(C1)CN2CCC3=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/C38H43F3N4O3S/c39-38(40,41)26-42-36(47)37(31-9-1-3-11-33(31)49-34-12-4-2-10-32(34)37)16-7-17-43-19-21-44(22-20-43)28-14-13-27-15-18-45(35(46)30(27)24-28)25-29-8-5-6-23-48-29/h1-4,9-14,24,29H,5-8,15-23,25-26H2,(H,42,47)