N-[[4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]piperazin-1-yl]phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]piperazin-1-yl]phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-[4-(2,3,4,5,6-pentafluorophenyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazino]phenyl]thiocarbamoyl]hexanamide Formula: C23H25F5N4OS MolecularWeight: 500.527816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=C(C(=C3F)F)F)F)F

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=C(C(=C3F)F)F)F)F

InChI

InChI=1S/C23H25F5N4OS/c1-2-3-4-5-16(33)30-23(34)29-14-6-8-15(9-7-14)31-10-12-32(13-11-31)22-20(27)18(25)17(24)19(26)21(22)28/h6-9H,2-5,10-13H2,1H3,(H2,29,30,33,34)