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

Systemtic Name: (5R)-1-[(3S)-3-(4-bromophenyl)sulfanyl-3-phenyl-propyl]-5-methyl-azepan-2-one Openeye Name: (5R)-1-[(3S)-3-(4-bromophenyl)sulfanyl-3-phenyl-propyl]-5-methyl-azepan-2-one CAS Name: (5R)-1-[(3S)-3-[(4-bromophenyl)thio]-3-phenylpropyl]-5-methyl-2-azepanone IUPAC Name: (5R)-1-[(3S)-3-(4-bromophenyl)sulfanyl-3-phenylpropyl]-5-methylazepan-2-one Traditional Name: (5R)-1-[(3S)-3-[(4-bromophenyl)thio]-3-phenyl-propyl]-5-methyl-azepan-2-one Formula: C22H26BrNOS MolecularWeight: 432.41694

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)N(CC1)CCC(C2=CC=CC=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNOS/c1-17-7-12-22(25)24(15-13-17)16-14-21(18-5-3-2-4-6-18)26-20-10-8-19(23)9-11-20/h2-6,8-11,17,21H,7,12-16H2,1H3/t17-,21+/m1/s1