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

Systemtic Name: 3-azanyl-1-butyl-4-(2-phenoxyphenyl)carbonyl-2-piperidin-1-yl-N-[2,2,2-tris(fluoranyl)ethyl]-9H-thioxanthene-9-carboxamide Openeye Name: 3-amino-1-butyl-4-(2-phenoxybenzoyl)-2-(1-piperidyl)-N-(2,2,2-trifluoroethyl)-9H-thioxanthene-9-carboxamide CAS Name: 3-amino-1-butyl-4-[oxo-(2-phenoxyphenyl)methyl]-2-(1-piperidinyl)-N-(2,2,2-trifluoroethyl)-9H-thioxanthene-9-carboxamide IUPAC Name: 3-amino-1-butyl-4-(2-phenoxybenzoyl)-2-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-9H-thioxanthene-9-carboxamide Traditional Name: 3-amino-1-butyl-4-(2-phenoxybenzoyl)-2-piperidino-N-(2,2,2-trifluoroethyl)-9H-thioxanthene-9-carboxamide Formula: C38H38F3N3O3S MolecularWeight: 673.78683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C2=C1C(C3=CC=CC=C3S2)C(=O)NCC(F)(F)F)C(=O)C4=CC=CC=C4OC5=CC=CC=C5)N)N6CCCCC6

Isomeric SMILES

CCCCC1=C(C(=C(C2=C1C(C3=CC=CC=C3S2)C(=O)NCC(F)(F)F)C(=O)C4=CC=CC=C4OC5=CC=CC=C5)N)N6CCCCC6

InChI

InChI=1S/C38H38F3N3O3S/c1-2-3-16-27-30-31(37(46)43-23-38(39,40)41)26-18-9-11-20-29(26)48-36(30)32(33(42)34(27)44-21-12-5-13-22-44)35(45)25-17-8-10-19-28(25)47-24-14-6-4-7-15-24/h4,6-11,14-15,17-20,31H,2-3,5,12-13,16,21-23,42H2,1H3,(H,43,46)