2-[4-butan-2-yl-3-[(4-cyanophenyl)methyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[4-butan-2-yl-3-[(4-cyanophenyl)methyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[3-[(4-cyanophenyl)methyl]-2,5-dioxo-4-sec-butyl-imidazolidin-1-yl]-4-methylsulfanyl-butanoic acid CAS Name: 2-[4-butan-2-yl-3-[(4-cyanophenyl)methyl]-2,5-dioxo-1-imidazolidinyl]-4-(methylthio)butanoic acid IUPAC Name: 2-[4-butan-2-yl-3-[(4-cyanophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-4-methylsulfanylbutanoic acid Traditional Name: 2-[3-(4-cyanobenzyl)-2,5-diketo-4-sec-butyl-imidazolidin-1-yl]-4-(methylthio)butyric acid Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N(C(=O)N1CC2=CC=C(C=C2)C#N)C(CCSC)C(=O)O

Isomeric SMILES

CCC(C)C1C(=O)N(C(=O)N1CC2=CC=C(C=C2)C#N)C(CCSC)C(=O)O

InChI

InChI=1S/C20H25N3O4S/c1-4-13(2)17-18(24)23(16(19(25)26)9-10-28-3)20(27)22(17)12-15-7-5-14(11-21)6-8-15/h5-8,13,16-17H,4,9-10,12H2,1-3H3,(H,25,26)