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

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)methylsulfanylcarbamoylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3-chloro-4-fluoro-phenyl)methylsulfanylcarbamoylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[[(3-chloro-4-fluorophenyl)methylthio]amino]-oxomethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3-chloro-4-fluorophenyl)methylsulfanylcarbamoylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[(3-chloro-4-fluoro-benzyl)thio]carbamoylamino]phenyl]-2-fluoro-benzamide Formula: C21H16ClF2N3O2S MolecularWeight: 447.885446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NSCC3=CC(=C(C=C3)F)Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NSCC3=CC(=C(C=C3)F)Cl)F

InChI

InChI=1S/C21H16ClF2N3O2S/c22-17-11-13(5-10-19(17)24)12-30-27-21(29)26-15-8-6-14(7-9-15)25-20(28)16-3-1-2-4-18(16)23/h1-11H,12H2,(H,25,28)(H2,26,27,29)