2-butyl-5-methyl-3-(methylamino)-6-(4-methylsulfanylphenyl)-9-oxidanylidene-1-phenyl-10H-acridine-4-carboxamide

Systemtic Name: 2-butyl-5-methyl-3-(methylamino)-6-(4-methylsulfanylphenyl)-9-oxidanylidene-1-phenyl-10H-acridine-4-carboxamide Openeye Name: 2-butyl-5-methyl-3-(methylamino)-6-(4-methylsulfanylphenyl)-9-oxo-1-phenyl-10H-acridine-4-carboxamide CAS Name: 2-butyl-5-methyl-3-(methylamino)-6-[4-(methylthio)phenyl]-9-oxo-1-phenyl-10H-acridine-4-carboxamide IUPAC Name: 2-butyl-5-methyl-3-(methylamino)-6-(4-methylsulfanylphenyl)-9-oxo-1-phenyl-10H-acridine-4-carboxamide Traditional Name: 2-butyl-9-keto-5-methyl-3-(methylamino)-6-[4-(methylthio)phenyl]-1-phenyl-10H-acridine-4-carboxamide Formula: C33H33N3O2S MolecularWeight: 535.69902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C2C(=C1C3=CC=CC=C3)C(=O)C4=C(N2)C(=C(C=C4)C5=CC=C(C=C5)SC)C)C(=O)N)NC

Isomeric SMILES

CCCCC1=C(C(=C2C(=C1C3=CC=CC=C3)C(=O)C4=C(N2)C(=C(C=C4)C5=CC=C(C=C5)SC)C)C(=O)N)NC

InChI

InChI=1S/C33H33N3O2S/c1-5-6-12-24-26(21-10-8-7-9-11-21)27-31(28(33(34)38)30(24)35-3)36-29-19(2)23(17-18-25(29)32(27)37)20-13-15-22(39-4)16-14-20/h7-11,13-18,35H,5-6,12H2,1-4H3,(H2,34,38)(H,36,37)