N-[2-[(4-Chlorophenyl)Carbamothioylamino]Cyclopentyl]-N-Methyl-4-Nitrobenzamide
[CAS# 77051-92-4]

Identification

• Name: N-[2-[(4-Chlorophenyl)Carbamothioylamino]Cyclopentyl]-N-Methyl-4-Nitrobenzamide
• Synonyms: N-[2-[(4-Chlorophenyl)Carbamothioylamino]Cyclopentyl]-N-Methyl-4-Nitro-Benzamide; N-[2-[[[(4-Chlorophenyl)Amino]-Thioxomethyl]Amino]Cyclopentyl]-N-Methyl-4-Nitrobenzamide; N-[2-[(4-Chlorophenyl)Thiocarbamoylamino]Cyclopentyl]-N-Methyl-4-Nitro-Benzamide
• Molecular Formula: C₂₀H₂₁ClN₄O₃S
• Molecular Weight: 432.92
• CAS Registry Number: 77051-92-4
• SMILES: C3=C(C(=O)N(C2C(NC(=S)NC1=CC=C(Cl)C=C1)CCC2)C)C=CC(=C3)[N+]([O-])=O
• InChI: 1S/C20H21ClN4O3S/c1-24(19(26)13-5-11-16(12-6-13)25(27)28)18-4-2-3-17(18)23-20(29)22-15-9-7-14(21)8-10-15/h5-12,17-18H,2-4H2,1H3,(H2,22,23,29)
• InChIKey: PLFRWHXFYXXILR-UHFFFAOYSA-N

Properties

• Density: 1.401g/cm³ (Cal.)
• Boiling point: 613.895°C at 760 mmHg (Cal.)
• Flash point: 325.072°C (Cal.)