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

Systemtic Name: N-[4-[(2S)-2-[(5S)-5-tert-butyl-2-oxidanylidene-azepan-1-yl]-3-phenyl-propyl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[(2S)-2-[(5S)-5-tert-butyl-2-oxo-azepan-1-yl]-3-phenyl-propyl]sulfanylphenyl]acetamide CAS Name: N-[4-[[(2S)-2-[(5S)-5-tert-butyl-2-oxo-1-azepanyl]-3-phenylpropyl]thio]phenyl]acetamide IUPAC Name: N-[4-[(2S)-2-[(5S)-5-tert-butyl-2-oxoazepan-1-yl]-3-phenylpropyl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[(2S)-2-[(5S)-5-tert-butyl-2-keto-azepan-1-yl]-3-phenyl-propyl]thio]phenyl]acetamide Formula: C27H36N2O2S MolecularWeight: 452.65194

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O2S/c1-20(30)28-23-11-13-25(14-12-23)32-19-24(18-21-8-6-5-7-9-21)29-17-16-22(27(2,3)4)10-15-26(29)31/h5-9,11-14,22,24H,10,15-19H2,1-4H3,(H,28,30)/t22-,24-/m0/s1