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

Systemtic Name: 3-chloranyl-N-[[4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]piperazin-1-yl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[4-(2,3,4,5,6-pentafluorophenyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazino]phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C26H18ClF5N4OS2 MolecularWeight: 597.022336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C5=C(C(=C(C(=C5F)F)F)F)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C5=C(C(=C(C(=C5F)F)F)F)F

InChI

InChI=1S/C26H18ClF5N4OS2/c27-17-15-3-1-2-4-16(15)39-24(17)25(37)34-26(38)33-13-5-7-14(8-6-13)35-9-11-36(12-10-35)23-21(31)19(29)18(28)20(30)22(23)32/h1-8H,9-12H2,(H2,33,34,37,38)