N-[[3-fluoranyl-4-[methyl(pentyl)amino]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[3-fluoranyl-4-[methyl(pentyl)amino]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[3-fluoro-4-[methyl(pentyl)amino]phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[3-fluoro-4-[methyl(pentyl)amino]anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[3-fluoro-4-[methyl(pentyl)amino]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-[amyl(methyl)amino]-3-fluoro-phenyl]thiocarbamoyl]coumarilamide Formula: C22H24FN3O2S MolecularWeight: 413.508263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C)C1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)F

Isomeric SMILES

CCCCCN(C)C1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)F

InChI

InChI=1S/C22H24FN3O2S/c1-3-4-7-12-26(2)18-11-10-16(14-17(18)23)24-22(29)25-21(27)20-13-15-8-5-6-9-19(15)28-20/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3,(H2,24,25,27,29)