2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)ethanamide

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)ethanamide Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide Formula: C28H35N3O2S MolecularWeight: 477.6614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)NC2=C3CCN(C3=NC4=CC=CC=C42)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)NC2=C3CCN(C3=NC4=CC=CC=C42)C

InChI

InChI=1S/C28H35N3O2S/c1-27(2,3)20-14-17(15-21(25(20)33)28(4,5)6)34-16-23(32)30-24-18-10-8-9-11-22(18)29-26-19(24)12-13-31(26)7/h8-11,14-15,33H,12-13,16H2,1-7H3,(H,29,30,32)