N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(4,5-dihydrothiazol-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(4,5-dihydrothiazol-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(2-thiazolin-2-yl)isonipecotamide Formula: C16H17F3N4O3S MolecularWeight: 402.39139

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NCCS2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NCCS2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H17F3N4O3S/c17-16(18,19)11-1-2-12(13(9-11)23(25)26)22-6-3-10(4-7-22)14(24)21-15-20-5-8-27-15/h1-2,9-10H,3-8H2,(H,20,21,24)