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

Systemtic Name: N-[[3-chloranyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]piperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazino]phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C22H16ClF5N4OS2 MolecularWeight: 546.963656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CS3)Cl)C4=C(C(=C(C(=C4F)F)F)F)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CS3)Cl)C4=C(C(=C(C(=C4F)F)F)F)F

InChI

InChI=1S/C22H16ClF5N4OS2/c23-12-10-11(29-22(34)30-21(33)14-2-1-9-35-14)3-4-13(12)31-5-7-32(8-6-31)20-18(27)16(25)15(24)17(26)19(20)28/h1-4,9-10H,5-8H2,(H2,29,30,33,34)