N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[3-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[3-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[3-(5-methylol-2-furyl)phenyl]thiocarbamoyl]-3-propoxy-benzamide Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=CC=C(O3)CO

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=CC=C(O3)CO

InChI

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