N-[(3-Chlorophenyl)Carbamothioyl]Benzamide
[CAS# 21258-04-8]

Identification

• Name: N-[(3-Chlorophenyl)Carbamothioyl]Benzamide
• Synonyms: N-[[(3-Chlorophenyl)Amino]-Thioxomethyl]Benzamide; N-[(3-Chlorophenyl)Thiocarbamoyl]Benzamide; 3-Benzoyl-1-(M-Chlorophenyl)-2-Thiourea
• Molecular Formula: C₁₄H₁₁ClN₂OS
• Molecular Weight: 290.77
• CAS Registry Number: 21258-04-8
• SMILES: C1=C(Cl)C=CC=C1NC(NC(=O)C2=CC=CC=C2)=S
• InChI: 1S/C14H11ClN2OS/c15-11-7-4-8-12(9-11)16-14(19)17-13(18)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18,19)
• InChIKey: JDYWSTPUOHTVLB-UHFFFAOYSA-N

Properties

• Density: 1.381g/cm³ (Cal.)

References

• (1): M. K. Rauf, A. Badshah, U. Flörke and A. Saeed. 1-Benzoyl-3-(3-chlorophenyl)thiourea, Acta Cryst. (2006). E62, o1060-o1061