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Substance Name: Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl-
RN: 76870-16-1
InChIKey: ZJPMAJXLLZZWRD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H36-Cl-N3-O2-S

Molecular Weight

  • 514.1304
 
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Names and Synonyms

Synonym

  • 2-(4-((((4-(Chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexylacetamide

Systematic Name

  • Acetamide, 2-(4-((((4-(chloromethyl)phenyl)amino)thioxomethyl)amino)phenoxy)-N,N-dicyclohexyl-

Registry Numbers

CAS Registry Number

  • 76870-16-1

System Generated Number

  • 0076870161

Structure Descriptors

InChI

1S/C28H36ClN3O2S/c29-19-21-11-13-22(14-12-21)30-28(35)31-23-15-17-26(18-16-23)34-20-27(33)32(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h11-18,24-25H,1-10,19-20H2,(H2,30,31,35)

InChIKey

ZJPMAJXLLZZWRD-UHFFFAOYSA-N

Smiles

c1cc(ccc1CCl)NC(=S)Nc2ccc(cc2)OCC(=O)N(C3CCCCC3)C4CCCCC4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 825mg/kg (825mg/kg) BEHAVIORAL: EXCITEMENT Journal of the Indian Chemical Society. Vol. 57, Pg. 950, 1980.