5-[[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[2-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[2-(1,3-benzothiazol-2-ylthio)-5-nitro-benzylidene]barbituric acid Formula: C18H10N4O5S2 MolecularWeight: 426.4258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=C4C(=O)NC(=O)NC4=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=C4C(=O)NC(=O)NC4=O

InChI

InChI=1S/C18H10N4O5S2/c23-15-11(16(24)21-17(25)20-15)8-9-7-10(22(26)27)5-6-13(9)28-18-19-12-3-1-2-4-14(12)29-18/h1-8H,(H2,20,21,23,24,25)