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

Systemtic Name: N-[[3-chloranyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]piperazin-1-yl]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazino]phenyl]thiocarbamoyl]coumarilamide Formula: C26H18ClF5N4O2S MolecularWeight: 580.956736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3)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=CC4=CC=CC=C4O3)Cl)C5=C(C(=C(C(=C5F)F)F)F)F

InChI

InChI=1S/C26H18ClF5N4O2S/c27-15-12-14(33-26(39)34-25(37)18-11-13-3-1-2-4-17(13)38-18)5-6-16(15)35-7-9-36(10-8-35)24-22(31)20(29)19(28)21(30)23(24)32/h1-6,11-12H,7-10H2,(H2,33,34,37,39)