5-bromanyl-2-phenethyloxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-phenethyloxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-phenethyloxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-2-phenethyloxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-phenethyloxy-N-[(3-propionamidophenyl)thiocarbamoyl]benzamide Formula: C25H24BrN3O3S MolecularWeight: 526.44536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H24BrN3O3S/c1-2-23(30)27-19-9-6-10-20(16-19)28-25(33)29-24(31)21-15-18(26)11-12-22(21)32-14-13-17-7-4-3-5-8-17/h3-12,15-16H,2,13-14H2,1H3,(H,27,30)(H2,28,29,31,33)