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

Systemtic Name: N-[[3-chloranyl-4-(furan-2-ylcarbonylamino)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[3-chloro-4-(furan-2-carbonylamino)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[3-chloro-4-[[2-furanyl(oxo)methyl]amino]anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[3-chloro-4-(furan-2-carbonylamino)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[3-chloro-4-(2-furoylamino)phenyl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H16ClN3O5S MolecularWeight: 457.88684

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)NC(=O)C4=CC=CO4)Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)NC(=O)C4=CC=CO4)Cl

InChI

InChI=1S/C21H16ClN3O5S/c22-14-11-13(4-5-15(14)24-20(27)17-2-1-7-28-17)23-21(31)25-19(26)12-3-6-16-18(10-12)30-9-8-29-16/h1-7,10-11H,8-9H2,(H,24,27)(H2,23,25,26,31)