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

Systemtic Name: N-[4-[2-(1-benzofuran-2-yl)ethylcarbamothioylamino]-2-methyl-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[2-(benzofuran-2-yl)ethylcarbamothioylamino]-2-methyl-phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[2-(2-benzofuranyl)ethylamino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-fluorobenzamide IUPAC Name: N-[4-[2-(1-benzofuran-2-yl)ethylcarbamothioylamino]-2-methylphenyl]-2-fluorobenzamide Traditional Name: N-[4-[2-(benzofuran-2-yl)ethylthiocarbamoylamino]-2-methyl-phenyl]-2-fluoro-benzamide Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NCCC2=CC3=CC=CC=C3O2)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NCCC2=CC3=CC=CC=C3O2)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C25H22FN3O2S/c1-16-14-18(10-11-22(16)29-24(30)20-7-3-4-8-21(20)26)28-25(32)27-13-12-19-15-17-6-2-5-9-23(17)31-19/h2-11,14-15H,12-13H2,1H3,(H,29,30)(H2,27,28,32)