2-[[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-butyl-amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-butyl-amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-butyl-amino]methyl]-N-butyl-thiazole-4-carboxamide CAS Name: 2-[[[[3,5-bis(trifluoromethyl)anilino]-oxomethyl]-butylamino]methyl]-N-butyl-4-thiazolecarboxamide IUPAC Name: 2-[[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-butylamino]methyl]-N-butyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-butyl-amino]methyl]-N-butyl-thiazole-4-carboxamide Formula: C22H26F6N4O2S MolecularWeight: 524.522859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H26F6N4O2S/c1-3-5-7-29-19(33)17-13-35-18(31-17)12-32(8-6-4-2)20(34)30-16-10-14(21(23,24)25)9-15(11-16)22(26,27)28/h9-11,13H,3-8,12H2,1-2H3,(H,29,33)(H,30,34)