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

Systemtic Name: (5R)-1-[(3S)-3-(4-methoxyphenyl)sulfanyl-3-phenyl-propyl]-5-methyl-azepan-2-one Openeye Name: (5R)-1-[(3S)-3-(4-methoxyphenyl)sulfanyl-3-phenyl-propyl]-5-methyl-azepan-2-one CAS Name: (5R)-1-[(3S)-3-[(4-methoxyphenyl)thio]-3-phenylpropyl]-5-methyl-2-azepanone IUPAC Name: (5R)-1-[(3S)-3-(4-methoxyphenyl)sulfanyl-3-phenylpropyl]-5-methylazepan-2-one Traditional Name: (5R)-1-[(3S)-3-[(4-methoxyphenyl)thio]-3-phenyl-propyl]-5-methyl-azepan-2-one Formula: C23H29NO2S MolecularWeight: 383.54686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO2S/c1-18-8-13-23(25)24(16-14-18)17-15-22(19-6-4-3-5-7-19)27-21-11-9-20(26-2)10-12-21/h3-7,9-12,18,22H,8,13-17H2,1-2H3/t18-,22+/m1/s1