3-[3-[2-(4-dimethylaminophenyl)sulfanylethyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one

Systemtic Name: 3-[3-[2-(4-dimethylaminophenyl)sulfanylethyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[3-[2-(4-dimethylaminophenyl)sulfanylethyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[3-[2-[(4-dimethylaminophenyl)thio]ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[3-[2-(4-dimethylaminophenyl)sulfanylethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[3-[2-[(4-dimethylaminophenyl)thio]ethyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Formula: C26H37N3O3S MolecularWeight: 471.65528

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)SCCN(C)CCCN2CCC3=CC(=C(C=C3CC2=O)OC)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)SCCN(C)CCCN2CCC3=CC(=C(C=C3CC2=O)OC)OC

InChI

InChI=1S/C26H37N3O3S/c1-27(2)22-7-9-23(10-8-22)33-16-15-28(3)12-6-13-29-14-11-20-17-24(31-4)25(32-5)18-21(20)19-26(29)30/h7-10,17-18H,6,11-16,19H2,1-5H3