5-[(4-bromophenyl)methylsulfanyl-[(3,4-dimethylphenyl)amino]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(4-bromophenyl)methylsulfanyl-[(3,4-dimethylphenyl)amino]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-bromophenyl)methylsulfanyl-(3,4-dimethylanilino)methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[(4-bromophenyl)methylthio]-(3,4-dimethylanilino)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(4-bromophenyl)methylsulfanyl-(3,4-dimethylanilino)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[(4-bromobenzyl)thio]-(3,4-dimethylanilino)methylene]-1,3-dimethyl-barbituric acid Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=C2C(=O)N(C(=O)N(C2=O)C)C)SCC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=C2C(=O)N(C(=O)N(C2=O)C)C)SCC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H22BrN3O3S/c1-13-5-10-17(11-14(13)2)24-19(30-12-15-6-8-16(23)9-7-15)18-20(27)25(3)22(29)26(4)21(18)28/h5-11,24H,12H2,1-4H3