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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)SCCNC=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H23N3O3S/c1-18(2,3)25-10-9-19-11-14-15(22)20-17(24)21(16(14)23)12-13-7-5-4-6-8-13/h4-8,11,19H,9-10,12H2,1-3H3,(H,20,22,24)