2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-N-[2-(dimethylamino)quinolin-4-yl]ethanamide

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-N-[2-(dimethylamino)quinolin-4-yl]ethanamide Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-N-[2-(dimethylamino)-4-quinolyl]acetamide CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-N-[2-(dimethylamino)-4-quinolinyl]acetamide IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-N-[2-(dimethylamino)quinolin-4-yl]acetamide Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-N-[2-(dimethylamino)-4-quinolyl]acetamide Formula: C27H35N3O2S MolecularWeight: 465.6507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)NC2=CC(=NC3=CC=CC=C32)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)NC2=CC(=NC3=CC=CC=C32)N(C)C

InChI

InChI=1S/C27H35N3O2S/c1-26(2,3)19-13-17(14-20(25(19)32)27(4,5)6)33-16-24(31)29-22-15-23(30(7)8)28-21-12-10-9-11-18(21)22/h9-15,32H,16H2,1-8H3,(H,28,29,31)