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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(F)(F)F)C(=O)C1C2=CC=CC=C2SC3=CC=CC(=C13)N4CCC(CC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCN(CC(F)(F)F)C(=O)C1C2=CC=CC=C2SC3=CC=CC(=C13)N4CCC(CC4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H34F3N3O2S/c1-2-3-18-38(21-32(33,34)35)31(40)28-24-12-7-8-14-26(24)41-27-15-9-13-25(29(27)28)37-19-16-23(17-20-37)36-30(39)22-10-5-4-6-11-22/h4-15,23,28H,2-3,16-21H2,1H3,(H,36,39)