4,4-Dimethyl-N-(4-Nitrobenzenecarbothioyl)-3-Oxopentanamide
[CAS# 178408-11-2]

Identification

• Name: 4,4-Dimethyl-N-(4-Nitrobenzenecarbothioyl)-3-Oxopentanamide
• Synonyms: 4,4-Dimethyl-N-(4-Nitrobenzenecarbothioyl)-3-Oxo-Pentanamide; 4,4-Dimethyl-N-[(4-Nitrophenyl)-Thioxomethyl]-3-Oxopentanamide; 3-Keto-4,4-Dimethyl-N-(4-Nitrothiobenzoyl)Valeramide
• Molecular Formula: C₁₄H₁₆N₂O₄S
• Molecular Weight: 308.35
• CAS Registry Number: 178408-11-2
• SMILES: C1=C(C(=S)NC(=O)CC(=O)C(C)(C)C)C=CC(=C1)[N+]([O-])=O
• InChI: 1S/C14H16N2O4S/c1-14(2,3)11(17)8-12(18)15-13(21)9-4-6-10(7-5-9)16(19)20/h4-7H,8H2,1-3H3,(H,15,18,21)
• InChIKey: XBSZINYUSOWIOB-UHFFFAOYSA-N

Properties

• Density: 1.27g/cm³ (Cal.)