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

Systemtic Name: N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methyl-phenyl]carbamothioyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[[5-[5-(hydroxymethyl)-2-furyl]-2-methyl-phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[[5-[5-(hydroxymethyl)-2-furanyl]-2-methylanilino]-sulfanylidenemethyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[[2-methyl-5-(5-methylol-2-furyl)phenyl]thiocarbamoyl]-2-(3-methylphenoxy)acetamide Formula: C22H22N2O4S MolecularWeight: 410.48608

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-14-4-3-5-17(10-14)27-13-21(26)24-22(29)23-19-11-16(7-6-15(19)2)20-9-8-18(12-25)28-20/h3-11,25H,12-13H2,1-2H3,(H2,23,24,26,29)