N-[[4-(1-benzofuran-2-ylcarbonylamino)-3-methoxy-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-(1-benzofuran-2-ylcarbonylamino)-3-methoxy-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(benzofuran-2-carbonylamino)-3-methoxy-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-[[2-benzofuranyl(oxo)methyl]amino]-3-methoxyanilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(benzofuran-2-carbonylamino)-3-methoxy-phenyl]thiocarbamoyl]-piperonylamide Formula: C25H19N3O6S MolecularWeight: 489.49986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C25H19N3O6S/c1-31-20-12-16(26-25(35)28-23(29)15-6-9-19-21(11-15)33-13-32-19)7-8-17(20)27-24(30)22-10-14-4-2-3-5-18(14)34-22/h2-12H,13H2,1H3,(H,27,30)(H2,26,28,29,35)