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

Systemtic Name: (5R)-1-[(3S)-3-(4-bromophenyl)sulfanyl-3-phenyl-propyl]-5-tert-butyl-azepan-2-one Openeye Name: (5R)-1-[(3S)-3-(4-bromophenyl)sulfanyl-3-phenyl-propyl]-5-tert-butyl-azepan-2-one CAS Name: (5R)-1-[(3S)-3-[(4-bromophenyl)thio]-3-phenylpropyl]-5-tert-butyl-2-azepanone IUPAC Name: (5R)-1-[(3S)-3-(4-bromophenyl)sulfanyl-3-phenylpropyl]-5-tert-butylazepan-2-one Traditional Name: (5R)-1-[(3S)-3-[(4-bromophenyl)thio]-3-phenyl-propyl]-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)CCC(C2=CC=CC=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)[C@@H]1CCC(=O)N(CC1)CC[C@@H](C2=CC=CC=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H32BrNOS/c1-25(2,3)20-9-14-24(28)27(17-15-20)18-16-23(19-7-5-4-6-8-19)29-22-12-10-21(26)11-13-22/h4-8,10-13,20,23H,9,14-18H2,1-3H3/t20-,23+/m1/s1