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

Systemtic Name: 3-bromanyl-N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[3-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[3-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[3-(5-methylol-2-furyl)phenyl]thiocarbamoyl]benzamide Formula: C19H15BrN2O3S MolecularWeight: 431.303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN2O3S/c20-14-5-1-4-13(9-14)18(24)22-19(26)21-15-6-2-3-12(10-15)17-8-7-16(11-23)25-17/h1-10,23H,11H2,(H2,21,22,24,26)