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

Systemtic Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propylsulfanyl]phenyl]-9-oxidanylidene-10H-acridine-4-carboxamide Openeye Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propylsulfanyl]phenyl]-9-oxo-10H-acridine-4-carboxamide CAS Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propylthio]phenyl]-9-oxo-10H-acridine-4-carboxamide IUPAC Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propylsulfanyl]phenyl]-9-oxo-10H-acridine-4-carboxamide Traditional Name: N-[4-[3-(homoveratrylamino)propylthio]phenyl]-9-keto-10H-acridine-4-carboxamide Formula: C33H33N3O4S MolecularWeight: 567.69782

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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=CC=CC=C5C4=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCCCSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3NC5=CC=CC=C5C4=O)OC

InChI

InChI=1S/C33H33N3O4S/c1-39-29-16-11-22(21-30(29)40-2)17-19-34-18-6-20-41-24-14-12-23(13-15-24)35-33(38)27-9-5-8-26-31(27)36-28-10-4-3-7-25(28)32(26)37/h3-5,7-16,21,34H,6,17-20H2,1-2H3,(H,35,38)(H,36,37)