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

Systemtic Name: 5-[[(4-nitrophenyl)amino]methylidene]-1-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-nitroanilino)methylene]-1-propyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(4-nitroanilino)methylidene]-1-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4-nitroanilino)methylidene]-1-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(4-nitroanilino)methylene]-1-propyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O4S/c1-2-7-17-13(20)11(12(19)16-14(17)23)8-15-9-3-5-10(6-4-9)18(21)22/h3-6,8,15H,2,7H2,1H3,(H,16,19,23)