1-BENZOYL-3-PHENYL-2-THIOUREA

This chemical is called Benzamide, N-[(phenylamino)thioxomethyl]-, and its systematic name is N-(phenylcarbamothioyl)benzamide. With the molecular formula of C₁₄H₁₂N₂OS, its molecular weight is 256.32. The CAS registry number of this chemical is 4921-82-8.

Other characteristics of the Benzamide, N-[(phenylamino)thioxomethyl]- can be summarised as followings: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 81.14; (6)ACD/BCF (pH 7.4): 80.22; (7)ACD/KOC (pH 5.5): 809.52; (8)ACD/KOC (pH 7.4): 800.3; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.64 Å²; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 76.34 cm³; (15)Molar Volume: 198.6 cm³; (16)Polarizability: 30.26×10^-24cm³; (17)Surface Tension: 63.7 dyne/cm; (18)Density: 1.29 g/cm³. 

Production method of this chemical: The Benzamide, N-[(phenylamino)thioxomethyl]- could be obtained by the reactants of aniline and benzoyl isothiocyanate. This reaction needs the solvent of acetone. The yield is 97 %. In addition, this reaction should be taken for 30 minutes. The other condition is heating.

Uses of this chemical: The N-(phenyl-thiocarbamoyl)-thiobenzamide could be obtained by the reactant of Benzamide, N-[(phenylamino)thioxomethyl]-. This reaction needs the reagent of P₂S₅, and the solvent of pyridine. The yield is 55 %. This reaction should be taken for 10 minutes. The other condition is heating.

You can still convert the following datas into molecular structure: 
1.SMILES: S=C(Nc1ccccc1)NC(=O)c2ccccc2
2.InChI: InChI=1/C14H12N2OS/c17-13(11-7-3-1-4-8-11)16-14(18)15-12-9-5-2-6-10-12/h1-10H,(H2,15,16,17,18)
3.InChIKey: GVHZQIIMGRLFMX-UHFFFAOYAM

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	50mg/kg (50mg/kg)		National Technical Information Service. Vol. AD277-689,
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03316,