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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(C3=CC=CC=C3SC2=C(C=C1N4CCCCC4)NC(=O)C5=CC=CC=C5)C(=O)NCC(F)(F)F

Isomeric SMILES

CCCCC1=C2C(C3=CC=CC=C3SC2=C(C=C1N4CCCCC4)NC(=O)C5=CC=CC=C5)C(=O)NCC(F)(F)F

InChI

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