N-[3-(dimethylamino)propyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: N-[3-(dimethylamino)propyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-[3-(dimethylamino)propyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-[3-(dimethylamino)propyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-[3-(dimethylamino)propyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-[3-(dimethylamino)propyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C17H24F3N5O2S MolecularWeight: 419.46497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24F3N5O2S/c1-22(2)7-3-6-21-16(28)24-10-8-23(9-11-24)14-5-4-13(17(18,19)20)12-15(14)25(26)27/h4-5,12H,3,6-11H2,1-2H3,(H,21,28)