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

Systemtic Name: N-[4-[(1S)-3-[(5R)-5-tert-butyl-2-oxidanylidene-azepan-1-yl]-1-phenyl-propyl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[(1S)-3-[(5R)-5-tert-butyl-2-oxo-azepan-1-yl]-1-phenyl-propyl]sulfanylphenyl]acetamide CAS Name: N-[4-[[(1S)-3-[(5R)-5-tert-butyl-2-oxo-1-azepanyl]-1-phenylpropyl]thio]phenyl]acetamide IUPAC Name: N-[4-[(1S)-3-[(5R)-5-tert-butyl-2-oxoazepan-1-yl]-1-phenylpropyl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[(1S)-3-[(5R)-5-tert-butyl-2-keto-azepan-1-yl]-1-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)SC(CCN2CCC(CCC2=O)C(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S[C@@H](CCN2CC[C@@H](CCC2=O)C(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C27H36N2O2S/c1-20(30)28-23-11-13-24(14-12-23)32-25(21-8-6-5-7-9-21)17-19-29-18-16-22(27(2,3)4)10-15-26(29)31/h5-9,11-14,22,25H,10,15-19H2,1-4H3,(H,28,30)/t22-,25+/m1/s1