3-bromanyl-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[(3-isobutoxyphenyl)carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[3-(2-methylpropoxy)anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[(3-isobutoxyphenyl)thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C26H27BrN2O3S MolecularWeight: 527.47318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C26H27BrN2O3S/c1-18(2)17-32-22-10-6-9-21(16-22)28-26(33)29-25(30)20-11-12-24(23(27)15-20)31-14-13-19-7-4-3-5-8-19/h3-12,15-16,18H,13-14,17H2,1-2H3,(H2,28,29,30,33)