N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[1-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[1-(4-fluorophenyl)ethylthiocarbamoylamino]-2-methyl-phenyl]coumarilamide 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=CC=C(C=C2)F)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(C)C2=CC=C(C=C2)F)NC(=O)C3=CC4=CC=CC=C4O3

InChI

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