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

Systemtic Name: N-[4-[[3-chloranyl-4-(dimethylamino)phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[[3-chloro-4-(dimethylamino)phenyl]carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[3-chloro-4-(dimethylamino)anilino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[[3-chloro-4-(dimethylamino)phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[3-chloro-4-(dimethylamino)phenyl]thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C22H20ClFN4OS MolecularWeight: 442.936803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClFN4OS/c1-28(2)20-12-11-16(13-18(20)23)27-22(30)26-15-9-7-14(8-10-15)25-21(29)17-5-3-4-6-19(17)24/h3-13H,1-2H3,(H,25,29)(H2,26,27,30)