4-[1-(4-bromophenyl)sulfanyl-3-phenyl-propan-2-yl]-1-phenethyl-1,4-diazepan-5-one

Systemtic Name: 4-[1-(4-bromophenyl)sulfanyl-3-phenyl-propan-2-yl]-1-phenethyl-1,4-diazepan-5-one Openeye Name: 4-[1-benzyl-2-(4-bromophenyl)sulfanyl-ethyl]-1-phenethyl-1,4-diazepan-5-one CAS Name: 4-[1-[(4-bromophenyl)thio]-3-phenylpropan-2-yl]-1-phenethyl-1,4-diazepan-5-one IUPAC Name: 4-[1-(4-bromophenyl)sulfanyl-3-phenylpropan-2-yl]-1-phenethyl-1,4-diazepan-5-one Traditional Name: 4-[1-benzyl-2-[(4-bromophenyl)thio]ethyl]-1-phenethyl-1,4-diazepan-5-one Formula: C28H31BrN2OS MolecularWeight: 523.52754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)C(CC2=CC=CC=C2)CSC3=CC=C(C=C3)Br)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1=O)C(CC2=CC=CC=C2)CSC3=CC=C(C=C3)Br)CCC4=CC=CC=C4

InChI

InChI=1S/C28H31BrN2OS/c29-25-11-13-27(14-12-25)33-22-26(21-24-9-5-2-6-10-24)31-20-19-30(18-16-28(31)32)17-15-23-7-3-1-4-8-23/h1-14,26H,15-22H2