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

Systemtic Name: 5-[2,3-bis(chloranyl)phenyl]-N-[[3-chloranyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide CAS Name: N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-(2,3-dichlorophenyl)-2-furancarboxamide IUPAC Name: N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide Traditional Name: N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazino]phenyl]thiocarbamoyl]-5-(2,3-dichlorophenyl)-2-furamide Formula: C28H18Cl3F5N4O2S MolecularWeight: 675.884136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=C(C(=CC=C4)Cl)Cl)Cl)C5=C(C(=C(C(=C5F)F)F)F)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=C(C(=CC=C4)Cl)Cl)Cl)C5=C(C(=C(C(=C5F)F)F)F)F

InChI

InChI=1S/C28H18Cl3F5N4O2S/c29-15-3-1-2-14(20(15)31)18-6-7-19(42-18)27(41)38-28(43)37-13-4-5-17(16(30)12-13)39-8-10-40(11-9-39)26-24(35)22(33)21(32)23(34)25(26)36/h1-7,12H,8-11H2,(H2,37,38,41,43)