2-[2-(3,4-dimethoxyphenyl)ethyl]-6-propylsulfanyl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-propylsulfanyl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-propylsulfanyl-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(propylthio)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-propylsulfanylbenzo[de]isoquinoline-1,3-dione Traditional Name: 2-homoveratryl-6-(propylthio)benzo[de]isoquinoline-1,3-quinone Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCCSC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H25NO4S/c1-4-14-31-22-11-9-19-23-17(22)6-5-7-18(23)24(27)26(25(19)28)13-12-16-8-10-20(29-2)21(15-16)30-3/h5-11,15H,4,12-14H2,1-3H3