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

Systemtic Name: 3-butoxy-N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[3-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[3-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[3-(5-methylol-2-furyl)phenyl]thiocarbamoyl]benzamide Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=CC=C(O3)CO

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=CC=C(O3)CO

InChI

InChI=1S/C23H24N2O4S/c1-2-3-12-28-19-9-5-7-17(14-19)22(27)25-23(30)24-18-8-4-6-16(13-18)21-11-10-20(15-26)29-21/h4-11,13-14,26H,2-3,12,15H2,1H3,(H2,24,25,27,30)