N-[4-[[(5-bromanyl-2-phenethyloxy-phenyl)carbonylamino]carbamoyl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[[(5-bromanyl-2-phenethyloxy-phenyl)carbonylamino]carbamoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[(5-bromo-2-phenethyloxy-benzoyl)amino]carbamoyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[[(5-bromo-2-phenethyloxyphenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[[(5-bromo-2-phenethyloxybenzoyl)amino]carbamoyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[[(5-bromo-2-phenethyloxy-benzoyl)amino]carbamoyl]phenyl]-3-methyl-butyramide Formula: C27H28BrN3O4 MolecularWeight: 538.43292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H28BrN3O4/c1-18(2)16-25(32)29-22-11-8-20(9-12-22)26(33)30-31-27(34)23-17-21(28)10-13-24(23)35-15-14-19-6-4-3-5-7-19/h3-13,17-18H,14-16H2,1-2H3,(H,29,32)(H,30,33)(H,31,34)