N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[4-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[4-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: 3,4,5-trimethoxy-N-[[4-(5-methylol-2-furyl)phenyl]thiocarbamoyl]benzamide Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO

InChI

InChI=1S/C22H22N2O6S/c1-27-18-10-14(11-19(28-2)20(18)29-3)21(26)24-22(31)23-15-6-4-13(5-7-15)17-9-8-16(12-25)30-17/h4-11,25H,12H2,1-3H3,(H2,23,24,26,31)