5-[(2-tert-butylsulfanylethylamino)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(2-tert-butylsulfanylethylamino)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(2-tert-butylsulfanylethylamino)methylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[2-(tert-butylthio)ethylamino]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(2-tert-butylsulfanylethylamino)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[2-(tert-butylthio)ethylamino]methylene]-1-(o-tolyl)barbituric acid Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CNCCSC(C)(C)C)C(=O)NC2=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CNCCSC(C)(C)C)C(=O)NC2=O

InChI

InChI=1S/C18H23N3O3S/c1-12-7-5-6-8-14(12)21-16(23)13(15(22)20-17(21)24)11-19-9-10-25-18(2,3)4/h5-8,11,19H,9-10H2,1-4H3,(H,20,22,24)