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

Systemtic Name: 9-(1-oxidanylidene-2-piperazin-1-yl-3-propyl-3H-isoindol-4-yl)-N-[2,2,2-tris(fluoranyl)ethyl]thioxanthene-9-carboxamide Openeye Name: 9-(1-oxo-2-piperazin-1-yl-3-propyl-isoindolin-4-yl)-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide CAS Name: 9-[1-oxo-2-(1-piperazinyl)-3-propyl-3H-isoindol-4-yl]-N-(2,2,2-trifluoroethyl)-9-thioxanthenecarboxamide IUPAC Name: 9-(1-oxo-2-piperazin-1-yl-3-propyl-3H-isoindol-4-yl)-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Traditional Name: 9-(1-keto-2-piperazino-3-propyl-isoindolin-4-yl)-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Formula: C31H31F3N4O2S MolecularWeight: 580.66365

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2=C(C=CC=C2C3(C4=CC=CC=C4SC5=CC=CC=C53)C(=O)NCC(F)(F)F)C(=O)N1N6CCNCC6

Isomeric SMILES

CCCC1C2=C(C=CC=C2C3(C4=CC=CC=C4SC5=CC=CC=C53)C(=O)NCC(F)(F)F)C(=O)N1N6CCNCC6

InChI

InChI=1S/C31H31F3N4O2S/c1-2-8-24-27-20(28(39)38(24)37-17-15-35-16-18-37)9-7-12-23(27)31(29(40)36-19-30(32,33)34)21-10-3-5-13-25(21)41-26-14-6-4-11-22(26)31/h3-7,9-14,24,35H,2,8,15-19H2,1H3,(H,36,40)