8-bromanyl-5-(1H-imidazol-5-ylmethyl)-2-phenethyl-3-(phenylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepine

Systemtic Name: 8-bromanyl-5-(1H-imidazol-5-ylmethyl)-2-phenethyl-3-(phenylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepine Openeye Name: 3-benzyl-8-bromo-5-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,4-dihydro-1,2,5-benzothiadiazepine CAS Name: 8-bromo-5-(1H-imidazol-5-ylmethyl)-2-phenethyl-3-(phenylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepine IUPAC Name: 3-benzyl-8-bromo-5-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,4-dihydro-1,2,5-benzothiadiazepine Traditional Name: 3-benzyl-8-bromo-5-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,4-dihydro-1,2,5-benzothiadiazepine Formula: C27H27BrN4S MolecularWeight: 519.49908

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(SC2=C(N1CC3=CN=CN3)C=CC(=C2)Br)CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(SC2=C(N1CC3=CN=CN3)C=CC(=C2)Br)CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27BrN4S/c28-23-11-12-26-27(16-23)33-32(14-13-21-7-3-1-4-8-21)25(15-22-9-5-2-6-10-22)19-31(26)18-24-17-29-20-30-24/h1-12,16-17,20,25H,13-15,18-19H2,(H,29,30)