5-azanyl-6-butylsulfanyl-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 5-azanyl-6-butylsulfanyl-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione Openeye Name: 5-amino-6-butylsulfanyl-2-(3-morpholinopropyl)benzo[de]isoquinoline-1,3-dione CAS Name: 5-amino-6-(butylthio)-2-[3-(4-morpholinyl)propyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 5-amino-6-butylsulfanyl-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione Traditional Name: 5-amino-6-(butylthio)-2-(3-morpholinopropyl)benzo[de]isoquinoline-1,3-quinone Formula: C23H29N3O3S MolecularWeight: 427.55966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C2C3=C1C=CC=C3C(=O)N(C2=O)CCCN4CCOCC4)N

Isomeric SMILES

CCCCSC1=C(C=C2C3=C1C=CC=C3C(=O)N(C2=O)CCCN4CCOCC4)N

InChI

InChI=1S/C23H29N3O3S/c1-2-3-14-30-21-16-6-4-7-17-20(16)18(15-19(21)24)23(28)26(22(17)27)9-5-8-25-10-12-29-13-11-25/h4,6-7,15H,2-3,5,8-14,24H2,1H3