N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioylhexanamide

Systemtic Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioylhexanamide Openeye Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]hexanamide CAS Name: N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]hexanamide Traditional Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]hexanamide Formula: C18H23F3N4O3S MolecularWeight: 432.46043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23F3N4O3S/c1-2-3-4-5-16(26)22-17(29)24-10-8-23(9-11-24)14-7-6-13(18(19,20)21)12-15(14)25(27)28/h6-7,12H,2-5,8-11H2,1H3,(H,22,26,29)