5-[butylsulfanyl-[(4-methylphenyl)amino]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[butylsulfanyl-[(4-methylphenyl)amino]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[butylsulfanyl-(4-methylanilino)methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(butylthio)-(4-methylanilino)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[butylsulfanyl-(4-methylanilino)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(butylthio)-(p-toluidino)methylene]-1,3-dimethyl-barbituric acid Formula: C18H23N3O3S MolecularWeight: 361.45852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=C1C(=O)N(C(=O)N(C1=O)C)C)NC2=CC=C(C=C2)C

Isomeric SMILES

CCCCSC(=C1C(=O)N(C(=O)N(C1=O)C)C)NC2=CC=C(C=C2)C

InChI

InChI=1S/C18H23N3O3S/c1-5-6-11-25-15(19-13-9-7-12(2)8-10-13)14-16(22)20(3)18(24)21(4)17(14)23/h7-10,19H,5-6,11H2,1-4H3