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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28BrN3O4/c1-18(2)16-25(32)29-22-11-8-20(9-12-22)26(33)30-31-27(34)21-10-13-24(23(28)17-21)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)