9-(4-aminocarbonyl-2-butyl-3-piperazin-1-yl-phenyl)-N-[2,2,2-tris(fluoranyl)ethyl]thioxanthene-9-carboxamide

Systemtic Name: 9-(4-aminocarbonyl-2-butyl-3-piperazin-1-yl-phenyl)-N-[2,2,2-tris(fluoranyl)ethyl]thioxanthene-9-carboxamide Openeye Name: 9-(2-butyl-4-carbamoyl-3-piperazin-1-yl-phenyl)-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide CAS Name: 9-[2-butyl-4-carbamoyl-3-(1-piperazinyl)phenyl]-N-(2,2,2-trifluoroethyl)-9-thioxanthenecarboxamide IUPAC Name: 9-(2-butyl-4-carbamoyl-3-piperazin-1-ylphenyl)-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Traditional Name: 9-(2-butyl-4-carbamoyl-3-piperazino-phenyl)-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Formula: C31H33F3N4O2S MolecularWeight: 582.67953

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1N2CCNCC2)C(=O)N)C3(C4=CC=CC=C4SC5=CC=CC=C53)C(=O)NCC(F)(F)F

Isomeric SMILES

CCCCC1=C(C=CC(=C1N2CCNCC2)C(=O)N)C3(C4=CC=CC=C4SC5=CC=CC=C53)C(=O)NCC(F)(F)F

InChI

InChI=1S/C31H33F3N4O2S/c1-2-3-8-20-22(14-13-21(28(35)39)27(20)38-17-15-36-16-18-38)31(29(40)37-19-30(32,33)34)23-9-4-6-11-25(23)41-26-12-7-5-10-24(26)31/h4-7,9-14,36H,2-3,8,15-19H2,1H3,(H2,35,39)(H,37,40)