N-[[2-(5-bromanylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-fluoranyl-benzamide

Systemtic Name: N-[[2-(5-bromanylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[2-(5-bromo-1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[[2-(5-bromo-1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-fluorobenzamide Traditional Name: N-[[2-(5-bromo-1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-fluoro-benzamide Formula: C25H15BrFN3O2S MolecularWeight: 520.372903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=C4C=CC=C5Br

Isomeric SMILES

C1=CC(=CC(=C1)F)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=C4C=CC=C5Br

InChI

InChI=1S/C25H15BrFN3O2S/c26-20-9-3-6-17-18(20)7-2-8-19(17)24-29-21-13-16(10-11-22(21)32-24)28-25(33)30-23(31)14-4-1-5-15(27)12-14/h1-13H,(H2,28,30,31,33)