5-bromanyl-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-2-isopropoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-2-isopropoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C25H24BrN3O3S MolecularWeight: 526.44536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

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