N-[4-[(5-bromanyl-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[(5-bromanyl-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(5-bromo-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[[(5-bromo-2,4-dimethoxyphenyl)thio]amino]-oxomethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(5-bromo-2,4-dimethoxyphenyl)sulfanylcarbamoylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[(5-bromo-2,4-dimethoxy-phenyl)thio]carbamoylamino]phenyl]-2-fluoro-benzamide Formula: C22H19BrFN3O4S MolecularWeight: 520.371363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1SNC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1SNC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Br)OC

InChI

InChI=1S/C22H19BrFN3O4S/c1-30-18-12-19(31-2)20(11-16(18)23)32-27-22(29)26-14-9-7-13(8-10-14)25-21(28)15-5-3-4-6-17(15)24/h3-12H,1-2H3,(H,25,28)(H2,26,27,29)