9-chloranyl-7,8-dimethoxy-5-[4-(2-methylpropylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine

Systemtic Name: 9-chloranyl-7,8-dimethoxy-5-[4-(2-methylpropylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine Openeye Name: 9-chloro-5-(4-isobutylsulfanylphenyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine CAS Name: 9-chloro-7,8-dimethoxy-5-[4-(2-methylpropylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine IUPAC Name: 9-chloro-7,8-dimethoxy-5-[4-(2-methylpropylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine Traditional Name: 9-chloro-5-[4-(isobutylthio)phenyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine Formula: C22H28ClNO2S MolecularWeight: 405.98122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=CC=C(C=C1)C2CNCCC3=C(C(=C(C=C23)OC)OC)Cl

Isomeric SMILES

CC(C)CSC1=CC=C(C=C1)C2CNCCC3=C(C(=C(C=C23)OC)OC)Cl

InChI

InChI=1S/C22H28ClNO2S/c1-14(2)13-27-16-7-5-15(6-8-16)19-12-24-10-9-17-18(19)11-20(25-3)22(26-4)21(17)23/h5-8,11,14,19,24H,9-10,12-13H2,1-4H3