2-methyl-N-(4-morpholin-4-ylphenyl)-2-[2-(4-phenyl-2-sulfanylidene-imidazolidin-1-yl)ethanoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide

Systemtic Name: 2-methyl-N-(4-morpholin-4-ylphenyl)-2-[2-(4-phenyl-2-sulfanylidene-imidazolidin-1-yl)ethanoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide Openeye Name: 2-methyl-N-(4-morpholinophenyl)-2-[[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide CAS Name: 2-methyl-N-[4-(4-morpholinyl)phenyl]-2-[[1-oxo-2-(4-phenyl-2-sulfanylidene-1-imidazolidinyl)ethyl]-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide IUPAC Name: 2-methyl-N-(4-morpholin-4-ylphenyl)-2-[[2-(4-phenyl-2-sulfanylideneimidazolidin-1-yl)acetyl]-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide Traditional Name: 2-methyl-N-(4-morpholinophenyl)-2-[[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]-[4-(trifluoromethyl)benzyl]amino]propionamide Formula: C33H36F3N5O3S MolecularWeight: 639.73085

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=CC=C(C=C1)N2CCOCC2)N(CC3=CC=C(C=C3)C(F)(F)F)C(=O)CN4CC(NC4=S)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C(=O)NC1=CC=C(C=C1)N2CCOCC2)N(CC3=CC=C(C=C3)C(F)(F)F)C(=O)CN4CC(NC4=S)C5=CC=CC=C5

InChI

InChI=1S/C33H36F3N5O3S/c1-32(2,30(43)37-26-12-14-27(15-13-26)39-16-18-44-19-17-39)41(20-23-8-10-25(11-9-23)33(34,35)36)29(42)22-40-21-28(38-31(40)45)24-6-4-3-5-7-24/h3-15,28H,16-22H2,1-2H3,(H,37,43)(H,38,45)