N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propylsulfanyl]phenyl]-5-fluoranyl-9-oxidanylidene-10H-acridine-4-carboxamide

Systemtic Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propylsulfanyl]phenyl]-5-fluoranyl-9-oxidanylidene-10H-acridine-4-carboxamide Openeye Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propylsulfanyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide CAS Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propylthio]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide IUPAC Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propylsulfanyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide Traditional Name: 5-fluoro-N-[4-[3-(homoveratrylamino)propylthio]phenyl]-9-keto-10H-acridine-4-carboxamide Formula: C33H32FN3O4S MolecularWeight: 585.688283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCCCSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3NC5=C(C4=O)C=CC=C5F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCCCSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3NC5=C(C4=O)C=CC=C5F)OC

InChI

InChI=1S/C33H32FN3O4S/c1-40-28-15-10-21(20-29(28)41-2)16-18-35-17-5-19-42-23-13-11-22(12-14-23)36-33(39)26-8-3-6-24-30(26)37-31-25(32(24)38)7-4-9-27(31)34/h3-4,6-15,20,35H,5,16-19H2,1-2H3,(H,36,39)(H,37,38)