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

Systemtic Name: 3-ethoxy-N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3-ethoxy-N-[[3-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]benzamide CAS Name: 3-ethoxy-N-[[3-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3-ethoxy-N-[[3-(5-methylol-2-furyl)phenyl]thiocarbamoyl]benzamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=CC=C(O3)CO

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=CC=C(O3)CO

InChI

InChI=1S/C21H20N2O4S/c1-2-26-17-8-4-6-15(12-17)20(25)23-21(28)22-16-7-3-5-14(11-16)19-10-9-18(13-24)27-19/h3-12,24H,2,13H2,1H3,(H2,22,23,25,28)