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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=CC=C(O3)CO)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=CC=C(O3)CO)OC)OC

InChI

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