4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-piperazine-1-carbothioamide

Systemtic Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-piperazine-1-carbothioamide Openeye Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-piperazine-1-carbothioamide CAS Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1-piperazinecarbothioamide IUPAC Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propylpiperazine-1-carbothioamide Traditional Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-piperazine-1-carbothioamide Formula: C15H19F3N4O2S MolecularWeight: 376.39717

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H19F3N4O2S/c1-2-5-19-14(25)21-8-6-20(7-9-21)12-4-3-11(15(16,17)18)10-13(12)22(23)24/h3-4,10H,2,5-9H2,1H3,(H,19,25)