N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxy-phenyl]carbamothioyl]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxy-phenyl]carbamothioyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[[5-[5-(hydroxymethyl)-2-furyl]-2-methoxy-phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[[5-[5-(hydroxymethyl)-2-furanyl]-2-methoxyanilino]-sulfanylidenemethyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[[2-methoxy-5-(5-methylol-2-furyl)phenyl]thiocarbamoyl]-2-(3-methylphenoxy)acetamide Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C3=CC=C(O3)CO)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C3=CC=C(O3)CO)OC

InChI

InChI=1S/C22H22N2O5S/c1-14-4-3-5-16(10-14)28-13-21(26)24-22(30)23-18-11-15(6-8-20(18)27-2)19-9-7-17(12-25)29-19/h3-11,25H,12-13H2,1-2H3,(H2,23,24,26,30)