N-[4-[[5-chloranyl-2-(dimethylamino)phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[[5-chloranyl-2-(dimethylamino)phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[[5-chloro-2-(dimethylamino)phenyl]carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[5-chloro-2-(dimethylamino)anilino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[[5-chloro-2-(dimethylamino)phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[5-chloro-2-(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)Cl)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

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

InChI

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