1-(4-bromanyl-3-methyl-phenyl)-3-butyl-urea

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-butyl-urea Openeye Name: 1-(4-bromo-3-methyl-phenyl)-3-butyl-urea CAS Name: 1-(4-bromo-3-methylphenyl)-3-butylurea IUPAC Name: 1-(4-bromo-3-methylphenyl)-3-butylurea Traditional Name: 1-(4-bromo-3-methyl-phenyl)-3-butyl-urea Formula: C12H17BrN2O MolecularWeight: 285.18018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC(=C(C=C1)Br)C

Isomeric SMILES

CCCCNC(=O)NC1=CC(=C(C=C1)Br)C

InChI

InChI=1S/C12H17BrN2O/c1-3-4-7-14-12(16)15-10-5-6-11(13)9(2)8-10/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15,16)