3-butyl-9-methylsulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

Systemtic Name: 3-butyl-9-methylsulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 3-butyl-9-methylsulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 3-butyl-9-(methylthio)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 3-butyl-9-methylsulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 3-butyl-9-(methylthio)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C21H27NO2S MolecularWeight: 357.50958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)SC

Isomeric SMILES

CCCCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)SC

InChI

InChI=1S/C21H27NO2S/c1-3-4-11-22-12-10-16-17(13-19(23)20(24)21(16)25-2)18(14-22)15-8-6-5-7-9-15/h5-9,13,18,23-24H,3-4,10-12,14H2,1-2H3