N-[4-[2-[3-(aminocarbonylcarbamothioyl)-1-benzofuran-2-yl]ethyl]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[2-[3-(aminocarbonylcarbamothioyl)-1-benzofuran-2-yl]ethyl]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[2-[3-(carbamoylcarbamothioyl)benzofuran-2-yl]ethyl]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[2-[3-[(carbamoylamino)-sulfanylidenemethyl]-2-benzofuranyl]ethyl]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[2-[3-(carbamoylcarbamothioyl)-1-benzofuran-2-yl]ethyl]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[2-[3-(carbamoylthiocarbamoyl)benzofuran-2-yl]ethyl]phenyl]-2-fluoro-benzamide Formula: C25H20FN3O3S MolecularWeight: 461.508003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)CCC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F)C(=S)NC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)CCC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F)C(=S)NC(=O)N

InChI

InChI=1S/C25H20FN3O3S/c26-19-7-3-1-5-17(19)23(30)28-16-12-9-15(10-13-16)11-14-21-22(24(33)29-25(27)31)18-6-2-4-8-20(18)32-21/h1-10,12-13H,11,14H2,(H,28,30)(H3,27,29,31,33)