5-[[(2-methyl-5-nitro-phenyl)amino]methylidene]-1-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[(2-methyl-5-nitro-phenyl)amino]methylidene]-1-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2-methyl-5-nitro-anilino)methylene]-1-propyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2-methyl-5-nitroanilino)methylidene]-1-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-methyl-5-nitroanilino)methylidene]-1-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(2-methyl-5-nitro-anilino)methylene]-1-propyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=CNC2=C(C=CC(=C2)[N+](=O)[O-])C)C(=O)NC1=S

Isomeric SMILES

CCCN1C(=O)C(=CNC2=C(C=CC(=C2)[N+](=O)[O-])C)C(=O)NC1=S

InChI

InChI=1S/C15H16N4O4S/c1-3-6-18-14(21)11(13(20)17-15(18)24)8-16-12-7-10(19(22)23)5-4-9(12)2/h4-5,7-8,16H,3,6H2,1-2H3,(H,17,20,24)