(5S)-1-[2-(4-bromophenyl)sulfanylethyl]-5-methyl-azepan-2-one

Systemtic Name: (5S)-1-[2-(4-bromophenyl)sulfanylethyl]-5-methyl-azepan-2-one Openeye Name: (5S)-1-[2-(4-bromophenyl)sulfanylethyl]-5-methyl-azepan-2-one CAS Name: (5S)-1-[2-[(4-bromophenyl)thio]ethyl]-5-methyl-2-azepanone IUPAC Name: (5S)-1-[2-(4-bromophenyl)sulfanylethyl]-5-methylazepan-2-one Traditional Name: (5S)-1-[2-[(4-bromophenyl)thio]ethyl]-5-methyl-azepan-2-one Formula: C15H20BrNOS MolecularWeight: 342.2944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)N(CC1)CCSC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H]1CCC(=O)N(CC1)CCSC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H20BrNOS/c1-12-2-7-15(18)17(9-8-12)10-11-19-14-5-3-13(16)4-6-14/h3-6,12H,2,7-11H2,1H3/t12-/m0/s1