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

Systemtic Name: 9-[4-[4-[3-oxidanylidene-2-(1-phenylethyl)-1H-isoindol-5-yl]piperazin-1-yl]butyl]-N-[2,2,2-tris(fluoranyl)ethyl]thioxanthene-9-carboxamide Openeye Name: 9-[4-[4-[3-oxo-2-(1-phenylethyl)isoindolin-5-yl]piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide CAS Name: 9-[4-[4-[3-oxo-2-(1-phenylethyl)-1H-isoindol-5-yl]-1-piperazinyl]butyl]-N-(2,2,2-trifluoroethyl)-9-thioxanthenecarboxamide IUPAC Name: 9-[4-[4-[3-oxo-2-(1-phenylethyl)-1H-isoindol-5-yl]piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Traditional Name: 9-[4-[4-[3-keto-2-(1-phenylethyl)isoindolin-5-yl]piperazino]butyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Formula: C40H41F3N4O2S MolecularWeight: 698.83935

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCCCC5(C6=CC=CC=C6SC7=CC=CC=C75)C(=O)NCC(F)(F)F

Isomeric SMILES

CC(C1=CC=CC=C1)N2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCCCC5(C6=CC=CC=C6SC7=CC=CC=C75)C(=O)NCC(F)(F)F

InChI

InChI=1S/C40H41F3N4O2S/c1-28(29-11-3-2-4-12-29)47-26-30-17-18-31(25-32(30)37(47)48)46-23-21-45(22-24-46)20-10-9-19-39(38(49)44-27-40(41,42)43)33-13-5-7-15-35(33)50-36-16-8-6-14-34(36)39/h2-8,11-18,25,28H,9-10,19-24,26-27H2,1H3,(H,44,49)