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

Systemtic Name: 1-(4-tert-butylphenyl)carbonyl-3-(4-chlorophenyl)sulfanyl-azepan-2-one Openeye Name: 1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfanyl-azepan-2-one CAS Name: 1-[(4-tert-butylphenyl)-oxomethyl]-3-[(4-chlorophenyl)thio]-2-azepanone IUPAC Name: 1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfanylazepan-2-one Traditional Name: 1-(4-tert-butylbenzoyl)-3-[(4-chlorophenyl)thio]azepan-2-one Formula: C23H26ClNO2S MolecularWeight: 415.97604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO2S/c1-23(2,3)17-9-7-16(8-10-17)21(26)25-15-5-4-6-20(22(25)27)28-19-13-11-18(24)12-14-19/h7-14,20H,4-6,15H2,1-3H3