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

Systemtic Name: N-[4-[(3-chloranyl-4-methylsulfanyl-phenyl)sulfanylcarbamoylamino]-3-methoxy-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3-chloro-4-methylsulfanyl-phenyl)sulfanylcarbamoylamino]-3-methoxy-phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[[[3-chloro-4-(methylthio)phenyl]thio]amino]-oxomethyl]amino]-3-methoxyphenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3-chloro-4-methylsulfanylphenyl)sulfanylcarbamoylamino]-3-methoxyphenyl]-2-fluorobenzamide Traditional Name: N-[4-[[[3-chloro-4-(methylthio)phenyl]thio]carbamoylamino]-3-methoxy-phenyl]-2-fluoro-benzamide Formula: C22H19ClFN3O3S2 MolecularWeight: 491.985963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2F)NC(=O)NSC3=CC(=C(C=C3)SC)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2F)NC(=O)NSC3=CC(=C(C=C3)SC)Cl

InChI

InChI=1S/C22H19ClFN3O3S2/c1-30-19-11-13(25-21(28)15-5-3-4-6-17(15)24)7-9-18(19)26-22(29)27-32-14-8-10-20(31-2)16(23)12-14/h3-12H,1-2H3,(H,25,28)(H2,26,27,29)