9-[4-(4-benzamidopiperidin-1-yl)butyl]-N-[2,2,2-tris(fluoranyl)ethyl]thioxanthene-9-carboxamide

Systemtic Name: 9-[4-(4-benzamidopiperidin-1-yl)butyl]-N-[2,2,2-tris(fluoranyl)ethyl]thioxanthene-9-carboxamide Openeye Name: 9-[4-(4-benzamido-1-piperidyl)butyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide CAS Name: 9-[4-(4-benzamido-1-piperidinyl)butyl]-N-(2,2,2-trifluoroethyl)-9-thioxanthenecarboxamide IUPAC Name: 9-[4-(4-benzamidopiperidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Traditional Name: 9-[4-(4-benzamidopiperidino)butyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Formula: C32H34F3N3O2S MolecularWeight: 581.69147

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC=CC=C2)CCCCC3(C4=CC=CC=C4SC5=CC=CC=C53)C(=O)NCC(F)(F)F

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC=CC=C2)CCCCC3(C4=CC=CC=C4SC5=CC=CC=C53)C(=O)NCC(F)(F)F

InChI

InChI=1S/C32H34F3N3O2S/c33-32(34,35)22-36-30(40)31(25-12-4-6-14-27(25)41-28-15-7-5-13-26(28)31)18-8-9-19-38-20-16-24(17-21-38)37-29(39)23-10-2-1-3-11-23/h1-7,10-15,24H,8-9,16-22H2,(H,36,40)(H,37,39)