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

Systemtic Name: N-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C13H15F3N4O2S MolecularWeight: 348.34401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F3N4O2S/c1-17-12(23)19-6-4-18(5-7-19)10-3-2-9(13(14,15)16)8-11(10)20(21)22/h2-3,8H,4-7H2,1H3,(H,17,23)