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

Systemtic Name: (5S)-1-[(2S)-1-(4-methoxyphenyl)sulfanyl-3-phenyl-propan-2-yl]-5-methyl-azepan-2-one Openeye Name: (5S)-1-[(1S)-1-benzyl-2-(4-methoxyphenyl)sulfanyl-ethyl]-5-methyl-azepan-2-one CAS Name: (5S)-1-[(2S)-1-[(4-methoxyphenyl)thio]-3-phenylpropan-2-yl]-5-methyl-2-azepanone IUPAC Name: (5S)-1-[(2S)-1-(4-methoxyphenyl)sulfanyl-3-phenylpropan-2-yl]-5-methylazepan-2-one Traditional Name: (5S)-1-[(1S)-1-benzyl-2-[(4-methoxyphenyl)thio]ethyl]-5-methyl-azepan-2-one Formula: C23H29NO2S MolecularWeight: 383.54686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO2S/c1-18-8-13-23(25)24(15-14-18)20(16-19-6-4-3-5-7-19)17-27-22-11-9-21(26-2)10-12-22/h3-7,9-12,18,20H,8,13-17H2,1-2H3/t18-,20-/m0/s1