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

Systemtic Name: 2-phenyl-1-[4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone CAS Name: 2-phenyl-1-[4-[[1-(phenylmethyl)-2-imidazolyl]methyl]-1,4-diazepan-1-yl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanylethanone Traditional Name: 1-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-(phenylthio)ethanone Formula: C30H32N4OS MolecularWeight: 496.66628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)CC4=NC=CN4CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)CC4=NC=CN4CC5=CC=CC=C5

InChI

InChI=1S/C30H32N4OS/c35-30(29(26-13-6-2-7-14-26)36-27-15-8-3-9-16-27)33-19-10-18-32(21-22-33)24-28-31-17-20-34(28)23-25-11-4-1-5-12-25/h1-9,11-17,20,29H,10,18-19,21-24H2