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

Systemtic Name: N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-phenyl]carbamothioyl]-2,4-dimethoxy-benzamide Openeye Name: N-[[4-[5-(hydroxymethyl)-2-furyl]-3-methyl-phenyl]carbamothioyl]-2,4-dimethoxy-benzamide CAS Name: N-[[4-[5-(hydroxymethyl)-2-furanyl]-3-methylanilino]-sulfanylidenemethyl]-2,4-dimethoxybenzamide IUPAC Name: N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]carbamothioyl]-2,4-dimethoxybenzamide Traditional Name: 2,4-dimethoxy-N-[[3-methyl-4-(5-methylol-2-furyl)phenyl]thiocarbamoyl]benzamide Formula: C22H22N2O5S MolecularWeight: 426.48548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=C(C=C(C=C2)OC)OC)C3=CC=C(O3)CO

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=C(C=C(C=C2)OC)OC)C3=CC=C(O3)CO

InChI

InChI=1S/C22H22N2O5S/c1-13-10-14(4-7-17(13)19-9-6-16(12-25)29-19)23-22(30)24-21(26)18-8-5-15(27-2)11-20(18)28-3/h4-11,25H,12H2,1-3H3,(H2,23,24,26,30)