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

Systemtic Name: N-[4-[2-[(5S)-5-tert-butyl-2-oxidanylidene-azepan-1-yl]ethylsulfanyl]phenyl]ethanamide Openeye Name: N-[4-[2-[(5S)-5-tert-butyl-2-oxo-azepan-1-yl]ethylsulfanyl]phenyl]acetamide CAS Name: N-[4-[2-[(5S)-5-tert-butyl-2-oxo-1-azepanyl]ethylthio]phenyl]acetamide IUPAC Name: N-[4-[2-[(5S)-5-tert-butyl-2-oxoazepan-1-yl]ethylsulfanyl]phenyl]acetamide Traditional Name: N-[4-[2-[(5S)-5-tert-butyl-2-keto-azepan-1-yl]ethylthio]phenyl]acetamide Formula: C20H30N2O2S MolecularWeight: 362.5294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCCN2CCC(CCC2=O)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCCN2CC[C@H](CCC2=O)C(C)(C)C

InChI

InChI=1S/C20H30N2O2S/c1-15(23)21-17-6-8-18(9-7-17)25-14-13-22-12-11-16(20(2,3)4)5-10-19(22)24/h6-9,16H,5,10-14H2,1-4H3,(H,21,23)/t16-/m0/s1