2-[4-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide Formula: C19H28BrN3O2S MolecularWeight: 442.41352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCCN(CC2)CC(=O)N(C)C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCCN(CC2)CC(=O)N(C)C

InChI

InChI=1S/C19H28BrN3O2S/c1-14-11-17(15(2)10-16(14)20)26-13-19(25)23-7-5-6-22(8-9-23)12-18(24)21(3)4/h10-11H,5-9,12-13H2,1-4H3