2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-4,4-dimethyl-7-methylsulfanyl-isoquinoline-1,3-dione

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-4,4-dimethyl-7-methylsulfanyl-isoquinoline-1,3-dione Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-4,4-dimethyl-7-methylsulfanyl-isoquinoline-1,3-dione CAS Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-4,4-dimethyl-7-(methylthio)isoquinoline-1,3-dione IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-4,4-dimethyl-7-methylsulfanylisoquinoline-1,3-dione Traditional Name: 2-[3-(homoveratrylamino)propyl]-4,4-dimethyl-7-(methylthio)isoquinoline-1,3-quinone Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)SC)C(=O)N(C1=O)CCCNCCC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)SC)C(=O)N(C1=O)CCCNCCC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C25H32N2O4S/c1-25(2)20-9-8-18(32-5)16-19(20)23(28)27(24(25)29)14-6-12-26-13-11-17-7-10-21(30-3)22(15-17)31-4/h7-10,15-16,26H,6,11-14H2,1-5H3