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

Systemtic Name: 2-[[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide CAS Name: 2-[[[[3,5-bis(trifluoromethyl)anilino]-oxomethyl]-propylamino]methyl]-N-propyl-4-thiazolecarboxamide IUPAC Name: 2-[[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide Formula: C20H22F6N4O2S MolecularWeight: 496.469699

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CSC(=N1)CN(CCC)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCNC(=O)C1=CSC(=N1)CN(CCC)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H22F6N4O2S/c1-3-5-27-17(31)15-11-33-16(29-15)10-30(6-4-2)18(32)28-14-8-12(19(21,22)23)7-13(9-14)20(24,25)26/h7-9,11H,3-6,10H2,1-2H3,(H,27,31)(H,28,32)