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

Systemtic Name: 4-ethyl-N-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]piperazin-1-yl]carbothioyl-benzamide Openeye Name: 4-ethyl-N-[4-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carbothioyl]benzamide CAS Name: 4-ethyl-N-[[4-(2,3,4,5,6-pentafluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethyl-N-[4-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 4-ethyl-N-[4-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carbothioyl]benzamide Formula: C20H18F5N3OS MolecularWeight: 443.433436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C(=C(C(=C3F)F)F)F)F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C(=C(C(=C3F)F)F)F)F

InChI

InChI=1S/C20H18F5N3OS/c1-2-11-3-5-12(6-4-11)19(29)26-20(30)28-9-7-27(8-10-28)18-16(24)14(22)13(21)15(23)17(18)25/h3-6H,2,7-10H2,1H3,(H,26,29,30)