1-[4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone CAS Name: 1-[4-[[1-(phenylmethyl)-2-imidazolyl]methyl]-1,4-diazepan-1-yl]-2-(2-quinoxalinylthio)ethanone IUPAC Name: 1-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanylethanone Traditional Name: 1-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-(quinoxalin-2-ylthio)ethanone Formula: C26H28N6OS MolecularWeight: 472.60512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2)CC4=NC=CN4CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2)CC4=NC=CN4CC5=CC=CC=C5

InChI

InChI=1S/C26H28N6OS/c33-26(20-34-25-17-28-22-9-4-5-10-23(22)29-25)31-13-6-12-30(15-16-31)19-24-27-11-14-32(24)18-21-7-2-1-3-8-21/h1-5,7-11,14,17H,6,12-13,15-16,18-20H2