1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-(phenylthio)ethanone IUPAC Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanylethanone Traditional Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-(phenylthio)ethanone Formula: C24H28N4OS MolecularWeight: 420.57032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C24H28N4OS/c1-26-16-13-25-22(26)19-27-14-8-15-28(18-17-27)24(29)23(20-9-4-2-5-10-20)30-21-11-6-3-7-12-21/h2-7,9-13,16,23H,8,14-15,17-19H2,1H3