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

Systemtic Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propylsulfanyl]phenyl]-5-methylsulfanyl-9-oxidanylidene-10H-acridine-4-carboxamide Openeye Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propylsulfanyl]phenyl]-5-methylsulfanyl-9-oxo-10H-acridine-4-carboxamide CAS Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propylthio]phenyl]-5-(methylthio)-9-oxo-10H-acridine-4-carboxamide IUPAC Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propylsulfanyl]phenyl]-5-methylsulfanyl-9-oxo-10H-acridine-4-carboxamide Traditional Name: N-[4-[3-(homoveratrylamino)propylthio]phenyl]-9-keto-5-(methylthio)-10H-acridine-4-carboxamide Formula: C34H35N3O4S2 MolecularWeight: 613.7894

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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=C5SC)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=C5SC)OC

InChI

InChI=1S/C34H35N3O4S2/c1-40-28-16-11-22(21-29(28)41-2)17-19-35-18-6-20-43-24-14-12-23(13-15-24)36-34(39)27-9-4-7-25-31(27)37-32-26(33(25)38)8-5-10-30(32)42-3/h4-5,7-16,21,35H,6,17-20H2,1-3H3,(H,36,39)(H,37,38)