9-(chloromethyl)-7,8-dimethoxy-3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 9-(chloromethyl)-7,8-dimethoxy-3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 9-(chloromethyl)-7,8-dimethoxy-3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 9-(chloromethyl)-7,8-dimethoxy-3-methyl-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 9-(chloromethyl)-7,8-dimethoxy-3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 9-(chloromethyl)-7,8-dimethoxy-3-methyl-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine Formula: C20H24ClNO2S MolecularWeight: 377.92806

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(CC1)C(=C(C(=C2CCl)OC)OC)SC3=CC=CC=C3

Isomeric SMILES

CN1CCC2=C(CC1)C(=C(C(=C2CCl)OC)OC)SC3=CC=CC=C3

InChI

InChI=1S/C20H24ClNO2S/c1-22-11-9-15-16(10-12-22)20(25-14-7-5-4-6-8-14)19(24-3)18(23-2)17(15)13-21/h4-8H,9-13H2,1-3H3