5-bromanyl-2-phenethyloxy-N-[[2-(4-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-phenethyloxy-N-[[2-(4-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-N-[[[2-(4-isopropylphenoxy)acetyl]amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-2-phenethyloxy-N-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-N-[[[2-(4-isopropylphenoxy)acetyl]amino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C27H28BrN3O4S MolecularWeight: 570.49792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28BrN3O4S/c1-18(2)20-8-11-22(12-9-20)35-17-25(32)30-31-27(36)29-26(33)23-16-21(28)10-13-24(23)34-15-14-19-6-4-3-5-7-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,30,32)(H2,29,31,33,36)