9-[3-[4-[2-[(3-methylphenyl)methyl]-3-oxidanylidene-1H-isoindol-5-yl]piperazin-1-yl]propyl]-N-[2,2,2-tris(fluoranyl)ethyl]thioxanthene-9-carboxamide

Systemtic Name: 9-[3-[4-[2-[(3-methylphenyl)methyl]-3-oxidanylidene-1H-isoindol-5-yl]piperazin-1-yl]propyl]-N-[2,2,2-tris(fluoranyl)ethyl]thioxanthene-9-carboxamide Openeye Name: 9-[3-[4-[2-(m-tolylmethyl)-3-oxo-isoindolin-5-yl]piperazin-1-yl]propyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide CAS Name: 9-[3-[4-[2-[(3-methylphenyl)methyl]-3-oxo-1H-isoindol-5-yl]-1-piperazinyl]propyl]-N-(2,2,2-trifluoroethyl)-9-thioxanthenecarboxamide IUPAC Name: 9-[3-[4-[2-[(3-methylphenyl)methyl]-3-oxo-1H-isoindol-5-yl]piperazin-1-yl]propyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Traditional Name: 9-[3-[4-[3-keto-2-(3-methylbenzyl)isoindolin-5-yl]piperazino]propyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Formula: C39H39F3N4O2S MolecularWeight: 684.81277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CC3=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

CC1=CC(=CC=C1)CN2CC3=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/C39H39F3N4O2S/c1-27-8-6-9-28(22-27)24-46-25-29-14-15-30(23-31(29)36(46)47)45-20-18-44(19-21-45)17-7-16-38(37(48)43-26-39(40,41)42)32-10-2-4-12-34(32)49-35-13-5-3-11-33(35)38/h2-6,8-15,22-23H,7,16-21,24-26H2,1H3,(H,43,48)