4-[1-(4-bromophenyl)sulfanyl-4-methyl-pentan-2-yl]-1-phenethyl-1,4-diazepan-5-one

Systemtic Name: 4-[1-(4-bromophenyl)sulfanyl-4-methyl-pentan-2-yl]-1-phenethyl-1,4-diazepan-5-one Openeye Name: 4-[1-[(4-bromophenyl)sulfanylmethyl]-3-methyl-butyl]-1-phenethyl-1,4-diazepan-5-one CAS Name: 4-[1-[(4-bromophenyl)thio]-4-methylpentan-2-yl]-1-phenethyl-1,4-diazepan-5-one IUPAC Name: 4-[1-(4-bromophenyl)sulfanyl-4-methylpentan-2-yl]-1-phenethyl-1,4-diazepan-5-one Traditional Name: 4-[1-[[(4-bromophenyl)thio]methyl]-3-methyl-butyl]-1-phenethyl-1,4-diazepan-5-one Formula: C25H33BrN2OS MolecularWeight: 489.51132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CSC1=CC=C(C=C1)Br)N2CCN(CCC2=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(CSC1=CC=C(C=C1)Br)N2CCN(CCC2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C25H33BrN2OS/c1-20(2)18-23(19-30-24-10-8-22(26)9-11-24)28-17-16-27(15-13-25(28)29)14-12-21-6-4-3-5-7-21/h3-11,20,23H,12-19H2,1-2H3