N-[4-[[3-chloranyl-4-(methylsulfonylamino)phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[[3-chloranyl-4-(methylsulfonylamino)phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[[3-chloro-4-(methanesulfonamido)phenyl]carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[3-chloro-4-(methanesulfonamido)anilino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[[3-chloro-4-(methanesulfonamido)phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[3-chloro-4-(methanesulfonamido)phenyl]thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C21H18ClFN4O3S2 MolecularWeight: 492.974023

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

CS(=O)(=O)NC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C21H18ClFN4O3S2/c1-32(29,30)27-19-11-10-15(12-17(19)22)26-21(31)25-14-8-6-13(7-9-14)24-20(28)16-4-2-3-5-18(16)23/h2-12,27H,1H3,(H,24,28)(H2,25,26,31)