3-bromanyl-N-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3-bromanyl-N-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3-bromo-N-[4-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3-bromo-N-[[4-(2,3,4,5,6-pentafluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[4-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3-bromo-N-[4-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carbothioyl]benzamide Formula: C18H13BrF5N3OS MolecularWeight: 494.276336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=C(C(=C2F)F)F)F)F)C(=S)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN1C2=C(C(=C(C(=C2F)F)F)F)F)C(=S)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H13BrF5N3OS/c19-10-3-1-2-9(8-10)17(28)25-18(29)27-6-4-26(5-7-27)16-14(23)12(21)11(20)13(22)15(16)24/h1-3,8H,4-7H2,(H,25,28,29)