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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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