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

Systemtic Name: (5S)-1-[(2S)-1-(4-bromophenyl)sulfanyl-3-phenyl-propan-2-yl]-5-tert-butyl-azepan-2-one Openeye Name: (5S)-1-[(1S)-1-benzyl-2-(4-bromophenyl)sulfanyl-ethyl]-5-tert-butyl-azepan-2-one CAS Name: (5S)-1-[(2S)-1-[(4-bromophenyl)thio]-3-phenylpropan-2-yl]-5-tert-butyl-2-azepanone IUPAC Name: (5S)-1-[(2S)-1-(4-bromophenyl)sulfanyl-3-phenylpropan-2-yl]-5-tert-butylazepan-2-one Traditional Name: (5S)-1-[(1S)-1-benzyl-2-[(4-bromophenyl)thio]ethyl]-5-tert-butyl-azepan-2-one Formula: C25H32BrNOS MolecularWeight: 474.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(=O)N(CC1)C(CC2=CC=CC=C2)CSC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H32BrNOS/c1-25(2,3)20-9-14-24(28)27(16-15-20)22(17-19-7-5-4-6-8-19)18-29-23-12-10-21(26)11-13-23/h4-8,10-13,20,22H,9,14-18H2,1-3H3/t20-,22-/m0/s1