1,3-benzothiazol-6-yl-[4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: 1,3-benzothiazol-6-yl-[4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]methanone Openeye Name: 1,3-benzothiazol-6-yl-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: 1,3-benzothiazol-6-yl-[4-[[1-(phenylmethyl)-2-imidazolyl]methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1,3-benzothiazol-6-yl-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: 1,3-benzothiazol-6-yl-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Formula: C24H25N5OS MolecularWeight: 431.5532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)N=CS3)CC4=NC=CN4CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)N=CS3)CC4=NC=CN4CC5=CC=CC=C5

InChI

InChI=1S/C24H25N5OS/c30-24(20-7-8-21-22(15-20)31-18-26-21)28-11-4-10-27(13-14-28)17-23-25-9-12-29(23)16-19-5-2-1-3-6-19/h1-3,5-9,12,15,18H,4,10-11,13-14,16-17H2