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

Systemtic Name: N-[4-[(3-chloranyl-4-methylsulfanyl-phenyl)carbamothioylamino]-2-methyl-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3-chloro-4-methylsulfanyl-phenyl)carbamothioylamino]-2-methyl-phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[3-chloro-4-(methylthio)anilino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3-chloro-4-methylsulfanylphenyl)carbamothioylamino]-2-methylphenyl]-2-fluorobenzamide Traditional Name: N-[4-[[3-chloro-4-(methylthio)phenyl]thiocarbamoylamino]-2-methyl-phenyl]-2-fluoro-benzamide Formula: C22H19ClFN3OS2 MolecularWeight: 459.987163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC2=CC(=C(C=C2)SC)Cl)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC2=CC(=C(C=C2)SC)Cl)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H19ClFN3OS2/c1-13-11-14(25-22(29)26-15-8-10-20(30-2)17(23)12-15)7-9-19(13)27-21(28)16-5-3-4-6-18(16)24/h3-12H,1-2H3,(H,27,28)(H2,25,26,29)