3-[3-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethylthio]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[3-(homoveratrylthio)propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Formula: C25H33NO5S MolecularWeight: 459.59822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCSCCCN2CCC3=CC(=C(C=C3CC2=O)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCSCCCN2CCC3=CC(=C(C=C3CC2=O)OC)OC)OC

InChI

InChI=1S/C25H33NO5S/c1-28-21-7-6-18(14-22(21)29-2)9-13-32-12-5-10-26-11-8-19-15-23(30-3)24(31-4)16-20(19)17-25(26)27/h6-7,14-16H,5,8-13,17H2,1-4H3