tert-butyl 3-azanyl-1-butyl-2-piperidin-1-yl-9-[2,2,2-tris(fluoranyl)ethylcarbamoyl]-9H-thioxanthene-4-carboxylate

Systemtic Name: tert-butyl 3-azanyl-1-butyl-2-piperidin-1-yl-9-[2,2,2-tris(fluoranyl)ethylcarbamoyl]-9H-thioxanthene-4-carboxylate Openeye Name: tert-butyl 3-amino-1-butyl-2-(1-piperidyl)-9-(2,2,2-trifluoroethylcarbamoyl)-9H-thioxanthene-4-carboxylate CAS Name: 3-amino-1-butyl-9-[oxo-(2,2,2-trifluoroethylamino)methyl]-2-(1-piperidinyl)-9H-thioxanthene-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-1-butyl-2-piperidin-1-yl-9-(2,2,2-trifluoroethylcarbamoyl)-9H-thioxanthene-4-carboxylate Traditional Name: 3-amino-1-butyl-2-piperidino-9-(2,2,2-trifluoroethylcarbamoyl)-9H-thioxanthene-4-carboxylic acid tert-butyl ester Formula: C30H38F3N3O3S MolecularWeight: 577.70123

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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)OC(C)(C)C)N)N4CCCCC4

Isomeric SMILES

CCCCC1=C(C(=C(C2=C1C(C3=CC=CC=C3S2)C(=O)NCC(F)(F)F)C(=O)OC(C)(C)C)N)N4CCCCC4

InChI

InChI=1S/C30H38F3N3O3S/c1-5-6-12-19-21-22(27(37)35-17-30(31,32)33)18-13-8-9-14-20(18)40-26(21)23(28(38)39-29(2,3)4)24(34)25(19)36-15-10-7-11-16-36/h8-9,13-14,22H,5-7,10-12,15-17,34H2,1-4H3,(H,35,37)