3-(2-methylbut-3-en-2-yl)-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide

Systemtic Name: 3-(2-methylbut-3-en-2-yl)-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Openeye Name: 3-(1,1-dimethylallyl)-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide CAS Name: 3-(2-methylbut-3-en-2-yl)-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide IUPAC Name: 3-(2-methylbut-3-en-2-yl)-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Traditional Name: 3-(1,1-dimethylallyl)-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Formula: C21H26BrNO2S MolecularWeight: 436.40564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=C)N1CCC2=CC(=C(C(=C2CC1)SC3=CC=CC=C3)O)O.Br

Isomeric SMILES

CC(C)(C=C)N1CCC2=CC(=C(C(=C2CC1)SC3=CC=CC=C3)O)O.Br

InChI

InChI=1S/C21H25NO2S.BrH/c1-4-21(2,3)22-12-10-15-14-18(23)19(24)20(17(15)11-13-22)25-16-8-6-5-7-9-16;/h4-9,14,23-24H,1,10-13H2,2-3H3;1H