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

Systemtic Name: N-[[4-(furan-2-ylcarbonylamino)-3-methoxy-phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[4-(furan-2-carbonylamino)-3-methoxy-phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[4-[[2-furanyl(oxo)methyl]amino]-3-methoxyanilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[4-(furan-2-carbonylamino)-3-methoxyphenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[4-(2-furoylamino)-3-methoxy-phenyl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC=CO4

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H19N3O6S/c1-28-18-12-14(5-6-15(18)24-21(27)17-3-2-8-29-17)23-22(32)25-20(26)13-4-7-16-19(11-13)31-10-9-30-16/h2-8,11-12H,9-10H2,1H3,(H,24,27)(H2,23,25,26,32)