N-[[4-(1-benzofuran-2-ylcarbonylamino)-3-methyl-phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[[4-(1-benzofuran-2-ylcarbonylamino)-3-methyl-phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[4-(benzofuran-2-carbonylamino)-3-methyl-phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[4-[[2-benzofuranyl(oxo)methyl]amino]-3-methylanilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[4-(1-benzofuran-2-carbonylamino)-3-methylphenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[4-(benzofuran-2-carbonylamino)-3-methyl-phenyl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C26H21N3O5S MolecularWeight: 487.52704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C26H21N3O5S/c1-15-12-18(7-8-19(15)28-25(31)23-13-16-4-2-3-5-20(16)34-23)27-26(35)29-24(30)17-6-9-21-22(14-17)33-11-10-32-21/h2-9,12-14H,10-11H2,1H3,(H,28,31)(H2,27,29,30,35)