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

Systemtic Name: N-butyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-butyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-butyl-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-butyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C16H21F3N4O2S MolecularWeight: 390.42375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21F3N4O2S/c1-2-3-6-20-15(26)22-9-7-21(8-10-22)13-5-4-12(16(17,18)19)11-14(13)23(24)25/h4-5,11H,2-3,6-10H2,1H3,(H,20,26)