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Substance Name: 1-Imidazolidineacetic acid, 5-(2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene)-4-oxo-3-phenyl-2-thioxo-, compd. with N,N-diethylethanamine (1:1)
RN: 108797-81-5
InChIKey: VUNUNBSYROCBCP-PYRVPVIFSA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C22-H19-N3-O3-S2.C6-H15-N

Molecular Weight

  • 538.7336
 
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Names and Synonyms

  • 1-Imidazolidineacetic acid, 5-((3-ethyl-2(3H)-benzothiazolylidene)ethylidene)-4-oxo-3-phenyl-2-thioxo-, compd. with N,N-diethylethanamine (1:1)
  • 1-Imidazolidineacetic acid, 5-(2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene)-4-oxo-3-phenyl-2-thioxo-, compd. with N,N-diethylethanamine (1:1)

Registry Numbers

CAS Registry Number

  • 108797-81-5

System Generated Number

  • 0108797815

Molecular Formulas

Molecular Formula

  • C22-H19-N3-O3-S2.C6-H15-N

Molecular Formula Fragments

  • C22-H19-N3-O3-S2
  • C6-H15-N
  • COMPONENT

Structure Descriptors

InChI

1S/C22H19N3O3S2.C6H15N/c1-2-23-16-10-6-7-11-18(16)30-19(23)13-12-17-21(28)25(15-8-4-3-5-9-15)22(29)24(17)14-20(26)27;1-4-7(5-2)6-3/h3-13H,2,14H2,1H3,(H,26,27);4-6H2,1-3H3/b17-12+,19-13-;

InChIKey

VUNUNBSYROCBCP-PYRVPVIFSA-N

Smiles

CCN\1c2ccccc2S/C1=C\C=C\3/C(=O)N(C(=S)N3CC(=O)O)c4ccccc4.CCN(CC)CC