3-[(5-bromanyl-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]-2-fluoranyl-4-phenyl-benzamide

Systemtic Name: 3-[(5-bromanyl-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]-2-fluoranyl-4-phenyl-benzamide Openeye Name: 3-[(5-bromo-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]-2-fluoro-4-phenyl-benzamide CAS Name: 3-[[[[(5-bromo-2,4-dimethoxyphenyl)thio]amino]-oxomethyl]amino]-2-fluoro-4-phenylbenzamide IUPAC Name: 3-[(5-bromo-2,4-dimethoxyphenyl)sulfanylcarbamoylamino]-2-fluoro-4-phenylbenzamide Traditional Name: 3-[[(5-bromo-2,4-dimethoxy-phenyl)thio]carbamoylamino]-2-fluoro-4-phenyl-benzamide Formula: C22H19BrFN3O4S MolecularWeight: 520.371363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1SNC(=O)NC2=C(C=CC(=C2F)C(=O)N)C3=CC=CC=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1SNC(=O)NC2=C(C=CC(=C2F)C(=O)N)C3=CC=CC=C3)Br)OC

InChI

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