N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[4-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[4-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[4-(5-methylol-2-furyl)phenyl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H18N2O5S MolecularWeight: 410.44302

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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)C4=CC=C(O4)CO

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C4=CC=C(O4)CO

InChI

InChI=1S/C21H18N2O5S/c24-12-16-6-8-17(28-16)13-1-4-15(5-2-13)22-21(29)23-20(25)14-3-7-18-19(11-14)27-10-9-26-18/h1-8,11,24H,9-10,12H2,(H2,22,23,25,29)