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Substance Name: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(((phenylamino)thioxomethyl)amino)-, ethyl ester
RN: 42076-12-0
InChIKey: LLGKQAVFOOLYNJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N2-O2-S2

Molecular Weight

  • 360.5
 
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Names and Synonyms

Synonyms

  • 5-18-12-00225 (Beilstein Handbook Reference)
  • BRN 1437884

Systematic Name

  • Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(((phenylamino)thioxomethyl)amino)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 42076-12-0

System Generated Number

  • 0042076120

Structure Descriptors

InChI

1S/C18H20N2O2S2/c1-2-22-17(21)15-13-10-6-7-11-14(13)24-16(15)20-18(23)19-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,19,20,23)

InChIKey

LLGKQAVFOOLYNJ-UHFFFAOYSA-N

Smiles

CCOC(=O)c1c2c(sc1NC(=S)Nc3ccccc3)CCCC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 1gm/kg (1000mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 25, Pg. 635, 1990.