1-(4-tert-butylphenyl)carbonyl-3-phenylsulfanyl-azepan-2-one

Systemtic Name: 1-(4-tert-butylphenyl)carbonyl-3-phenylsulfanyl-azepan-2-one Openeye Name: 1-(4-tert-butylbenzoyl)-3-phenylsulfanyl-azepan-2-one CAS Name: 1-[(4-tert-butylphenyl)-oxomethyl]-3-(phenylthio)-2-azepanone IUPAC Name: 1-(4-tert-butylbenzoyl)-3-phenylsulfanylazepan-2-one Traditional Name: 1-(4-tert-butylbenzoyl)-3-(phenylthio)azepan-2-one Formula: C23H27NO2S MolecularWeight: 381.53098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCCC(C2=O)SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCCC(C2=O)SC3=CC=CC=C3

InChI

InChI=1S/C23H27NO2S/c1-23(2,3)18-14-12-17(13-15-18)21(25)24-16-8-7-11-20(22(24)26)27-19-9-5-4-6-10-19/h4-6,9-10,12-15,20H,7-8,11,16H2,1-3H3