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

Systemtic Name: N-[4-[(3-chloranyl-4-methylsulfanyl-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3-chloro-4-methylsulfanyl-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[3-chloro-4-(methylthio)anilino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3-chloro-4-methylsulfanylphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[3-chloro-4-(methylthio)phenyl]thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C21H17ClFN3OS2 MolecularWeight: 445.960583

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

CSC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C21H17ClFN3OS2/c1-29-19-11-10-15(12-17(19)22)26-21(28)25-14-8-6-13(7-9-14)24-20(27)16-4-2-3-5-18(16)23/h2-12H,1H3,(H,24,27)(H2,25,26,28)