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

Systemtic Name: N-[4-[(5-bromanyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(5-bromo-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(5-bromo-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(5-bromo-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[(5-bromo-2,4-dimethoxy-phenyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C22H19BrFN3O3S MolecularWeight: 504.371963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Br)OC

InChI

InChI=1S/C22H19BrFN3O3S/c1-29-19-12-20(30-2)18(11-16(19)23)27-22(31)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)(H2,26,27,31)