N-[4-[1-(1-benzofuran-2-yl)ethylcarbamothioylamino]-2-cyano-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[1-(1-benzofuran-2-yl)ethylcarbamothioylamino]-2-cyano-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[1-(benzofuran-2-yl)ethylcarbamothioylamino]-2-cyano-phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[1-(2-benzofuranyl)ethylamino]-sulfanylidenemethyl]amino]-2-cyanophenyl]-2-fluorobenzamide IUPAC Name: N-[4-[1-(1-benzofuran-2-yl)ethylcarbamothioylamino]-2-cyanophenyl]-2-fluorobenzamide Traditional Name: N-[4-[1-(benzofuran-2-yl)ethylthiocarbamoylamino]-2-cyano-phenyl]-2-fluoro-benzamide Formula: C25H19FN4O2S MolecularWeight: 458.507363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=S)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4F)C#N

Isomeric SMILES

CC(C1=CC2=CC=CC=C2O1)NC(=S)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4F)C#N

InChI

InChI=1S/C25H19FN4O2S/c1-15(23-13-16-6-2-5-9-22(16)32-23)28-25(33)29-18-10-11-21(17(12-18)14-27)30-24(31)19-7-3-4-8-20(19)26/h2-13,15H,1H3,(H,30,31)(H2,28,29,33)