1-[4-(5-bromanyl-2-oxidanyl-phenyl)-1-butyl-2-oxidanylidene-pyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea

Systemtic Name: 1-[4-(5-bromanyl-2-oxidanyl-phenyl)-1-butyl-2-oxidanylidene-pyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea Openeye Name: 1-[4-(5-bromo-2-hydroxy-phenyl)-1-butyl-2-oxo-3-pyridyl]-3-(2,6-diisopropylphenyl)urea CAS Name: 1-[4-(5-bromo-2-hydroxyphenyl)-1-butyl-2-oxo-3-pyridinyl]-3-[2,6-di(propan-2-yl)phenyl]urea IUPAC Name: 1-[4-(5-bromo-2-hydroxyphenyl)-1-butyl-2-oxopyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea Traditional Name: 1-[4-(5-bromo-2-hydroxy-phenyl)-1-butyl-2-keto-3-pyridyl]-3-(2,6-diisopropylphenyl)urea Formula: C28H34BrN3O3 MolecularWeight: 540.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC(=C(C1=O)NC(=O)NC2=C(C=CC=C2C(C)C)C(C)C)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

CCCCN1C=CC(=C(C1=O)NC(=O)NC2=C(C=CC=C2C(C)C)C(C)C)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C28H34BrN3O3/c1-6-7-14-32-15-13-22(23-16-19(29)11-12-24(23)33)26(27(32)34)31-28(35)30-25-20(17(2)3)9-8-10-21(25)18(4)5/h8-13,15-18,33H,6-7,14H2,1-5H3,(H2,30,31,35)