N-[4-[(2S)-2-[(5S)-5-oxidanyl-2-oxidanylidene-azepan-1-yl]-3-phenyl-propyl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[(2S)-2-[(5S)-5-oxidanyl-2-oxidanylidene-azepan-1-yl]-3-phenyl-propyl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[(2S)-2-[(5S)-5-hydroxy-2-oxo-azepan-1-yl]-3-phenyl-propyl]sulfanylphenyl]acetamide CAS Name: N-[4-[[(2S)-2-[(5S)-5-hydroxy-2-oxo-1-azepanyl]-3-phenylpropyl]thio]phenyl]acetamide IUPAC Name: N-[4-[(2S)-2-[(5S)-5-hydroxy-2-oxoazepan-1-yl]-3-phenylpropyl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[(2S)-2-[(5S)-5-hydroxy-2-keto-azepan-1-yl]-3-phenyl-propyl]thio]phenyl]acetamide Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(CC2=CC=CC=C2)N3CCC(CCC3=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC[C@H](CC2=CC=CC=C2)N3CC[C@H](CCC3=O)O

InChI

InChI=1S/C23H28N2O3S/c1-17(26)24-19-7-10-22(11-8-19)29-16-20(15-18-5-3-2-4-6-18)25-14-13-21(27)9-12-23(25)28/h2-8,10-11,20-21,27H,9,12-16H2,1H3,(H,24,26)/t20-,21-/m0/s1