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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=CC=C(O3)CO

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=CC=C(O3)CO

InChI

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