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

Systemtic Name: N-[3-chloranyl-4-[(3-chloranyl-4-methylsulfanyl-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[3-chloro-4-[(3-chloro-4-methylsulfanyl-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[3-chloro-4-[[[3-chloro-4-(methylthio)anilino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[3-chloro-4-[(3-chloro-4-methylsulfanylphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[3-chloro-4-[[3-chloro-4-(methylthio)phenyl]thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C21H16Cl2FN3OS2 MolecularWeight: 480.405643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16Cl2FN3OS2/c1-30-19-9-7-13(11-16(19)23)26-21(29)27-18-8-6-12(10-15(18)22)25-20(28)14-4-2-3-5-17(14)24/h2-11H,1H3,(H,25,28)(H2,26,27,29)