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

Systemtic Name: N-[[4-(furan-2-ylcarbonylamino)-3-methyl-phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[4-(furan-2-carbonylamino)-3-methyl-phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[4-[[2-furanyl(oxo)methyl]amino]-3-methylanilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[4-(furan-2-carbonylamino)-3-methylphenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[4-(2-furoylamino)-3-methyl-phenyl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C22H19N3O5S MolecularWeight: 437.46836

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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=CC=CO4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H19N3O5S/c1-13-11-15(5-6-16(13)24-21(27)18-3-2-8-28-18)23-22(31)25-20(26)14-4-7-17-19(12-14)30-10-9-29-17/h2-8,11-12H,9-10H2,1H3,(H,24,27)(H2,23,25,26,31)