4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-benzyl-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(phenylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-benzyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-(piazthiol-5-ylmethyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1CC2=CC3=NSN=C3C=C2)CC4=CC=CC=C4)OCC5=CN=CC=C5

Isomeric SMILES

C1C(CN(C(=O)CN1CC2=CC3=NSN=C3C=C2)CC4=CC=CC=C4)OCC5=CN=CC=C5

InChI

InChI=1S/C25H25N5O2S/c31-25-17-29(13-20-8-9-23-24(11-20)28-33-27-23)15-22(32-18-21-7-4-10-26-12-21)16-30(25)14-19-5-2-1-3-6-19/h1-12,22H,13-18H2