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

Systemtic Name: N-[4-[1-(1-benzofuran-2-yl)ethylcarbamothioylamino]-2-methyl-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[1-(benzofuran-2-yl)ethylcarbamothioylamino]-2-methyl-phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[1-(2-benzofuranyl)ethylamino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-fluorobenzamide IUPAC Name: N-[4-[1-(1-benzofuran-2-yl)ethylcarbamothioylamino]-2-methylphenyl]-2-fluorobenzamide Traditional Name: N-[4-[1-(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)NC(C)C2=CC3=CC=CC=C3O2)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(C)C2=CC3=CC=CC=C3O2)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C25H22FN3O2S/c1-15-13-18(11-12-21(15)29-24(30)19-8-4-5-9-20(19)26)28-25(32)27-16(2)23-14-17-7-3-6-10-22(17)31-23/h3-14,16H,1-2H3,(H,29,30)(H2,27,28,32)