(5S)-1-[(2S)-1-(4-bromophenyl)sulfanyl-3-phenyl-propan-2-yl]-5-methyl-azepan-2-one

Systemtic Name: (5S)-1-[(2S)-1-(4-bromophenyl)sulfanyl-3-phenyl-propan-2-yl]-5-methyl-azepan-2-one Openeye Name: (5S)-1-[(1S)-1-benzyl-2-(4-bromophenyl)sulfanyl-ethyl]-5-methyl-azepan-2-one CAS Name: (5S)-1-[(2S)-1-[(4-bromophenyl)thio]-3-phenylpropan-2-yl]-5-methyl-2-azepanone IUPAC Name: (5S)-1-[(2S)-1-(4-bromophenyl)sulfanyl-3-phenylpropan-2-yl]-5-methylazepan-2-one Traditional Name: (5S)-1-[(1S)-1-benzyl-2-[(4-bromophenyl)thio]ethyl]-5-methyl-azepan-2-one Formula: C22H26BrNOS MolecularWeight: 432.41694

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)N(CC1)C(CC2=CC=CC=C2)CSC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@H]1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H26BrNOS/c1-17-7-12-22(25)24(14-13-17)20(15-18-5-3-2-4-6-18)16-26-21-10-8-19(23)9-11-21/h2-6,8-11,17,20H,7,12-16H2,1H3/t17-,20-/m0/s1