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

Systemtic Name: 3-[3-[3-(4-aminophenyl)sulfanylpropyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[3-[3-(4-aminophenyl)sulfanylpropyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[3-[3-[(4-aminophenyl)thio]propyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[3-[3-(4-aminophenyl)sulfanylpropyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[3-[3-[(4-aminophenyl)thio]propyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CCCSC3=CC=C(C=C3)N

Isomeric SMILES

CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CCCSC3=CC=C(C=C3)N

InChI

InChI=1S/C25H35N3O3S/c1-27(12-5-15-32-22-8-6-21(26)7-9-22)11-4-13-28-14-10-19-16-23(30-2)24(31-3)17-20(19)18-25(28)29/h6-9,16-17H,4-5,10-15,18,26H2,1-3H3