N-[2-[(3,5-Dimethylphenyl)Carbamothioylamino]Cyclopentyl]-N-Methyl-4-Nitrobenzamide
[CAS# 77051-90-2]

Identification

• Name: N-[2-[(3,5-Dimethylphenyl)Carbamothioylamino]Cyclopentyl]-N-Methyl-4-Nitrobenzamide
• Synonyms: N-[2-[(3,5-Dimethylphenyl)Carbamothioylamino]Cyclopentyl]-N-Methyl-4-Nitro-Benzamide; N-[2-[[[(3,5-Dimethylphenyl)Amino]-Thioxomethyl]Amino]Cyclopentyl]-N-Methyl-4-Nitrobenzamide; N-[2-[(3,5-Dimethylphenyl)Thiocarbamoylamino]Cyclopentyl]-N-Methyl-4-Nitro-Benzamide
• Molecular Formula: C₂₂H₂₆N₄O₃S
• Molecular Weight: 426.53
• CAS Registry Number: 77051-90-2
• SMILES: C1=CC(=CC=C1C(=O)N(C)C2C(CCC2)NC(=S)NC3=CC(=CC(=C3)C)C)[N+](=O)[O-]
• InChI: 1S/C22H26N4O3S/c1-14-11-15(2)13-17(12-14)23-22(30)24-19-5-4-6-20(19)25(3)21(27)16-7-9-18(10-8-16)26(28)29/h7-13,19-20H,4-6H2,1-3H3,(H2,23,24,30)
• InChIKey: KAKUXXPSRPHHFE-UHFFFAOYSA-N

Properties

• Density: 1.294g/cm³ (Cal.)
• Boiling point: 608.393°C at 760 mmHg (Cal.)
• Flash point: 321.745°C (Cal.)