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

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

C1=CC=C2C(=C1)C=C(O2)CCNC(=S)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4F)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)CCNC(=S)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4F)C#N

InChI

InChI=1S/C25H19FN4O2S/c26-21-7-3-2-6-20(21)24(31)30-22-10-9-18(13-17(22)15-27)29-25(33)28-12-11-19-14-16-5-1-4-8-23(16)32-19/h1-10,13-14H,11-12H2,(H,30,31)(H2,28,29,33)