5-(1H-imidazol-5-ylmethyl)-2-(2-phenylmethoxyphenyl)-3,4-dihydro-1,2,5-benzothiadiazepine

Systemtic Name: 5-(1H-imidazol-5-ylmethyl)-2-(2-phenylmethoxyphenyl)-3,4-dihydro-1,2,5-benzothiadiazepine Openeye Name: 2-(2-benzyloxyphenyl)-5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepine CAS Name: 5-(1H-imidazol-5-ylmethyl)-2-(2-phenylmethoxyphenyl)-3,4-dihydro-1,2,5-benzothiadiazepine IUPAC Name: 5-(1H-imidazol-5-ylmethyl)-2-(2-phenylmethoxyphenyl)-3,4-dihydro-1,2,5-benzothiadiazepine Traditional Name: 2-(2-benzoxyphenyl)-5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepine Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(SC2=CC=CC=C2N1CC3=CN=CN3)C4=CC=CC=C4OCC5=CC=CC=C5

Isomeric SMILES

C1CN(SC2=CC=CC=C2N1CC3=CN=CN3)C4=CC=CC=C4OCC5=CC=CC=C5

InChI

InChI=1S/C25H24N4OS/c1-2-8-20(9-3-1)18-30-24-12-6-4-10-22(24)29-15-14-28(17-21-16-26-19-27-21)23-11-5-7-13-25(23)31-29/h1-13,16,19H,14-15,17-18H2,(H,26,27)