Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate

CAS Registry Number®

774554-08-4
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CAS Name

Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate

Molecular Formula

C16H21N3O3S

Molecular Mass

335.42

Cite this Page

Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=774554-08-4 (retrieved 2024-08-26) (CAS RN: 774554-08-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H21N3O3S/c1-22-15(21)12-5-7-13(8-6-12)18-16(23)17-9-3-11-19-10-2-4-14(19)20/h5-8H,2-4,9-11H2,1H3,(H2,17,18,23)

InChIKey

InChIKey=MEJSLQROOCFHPA-UHFFFAOYSA-N

SMILES

N(C(NCCCN1C(=O)CCC1)=S)C2=CC=C(C(OC)=O)C=C2

Canonical SMILES

O=C(OC)C1=CC=C(C=C1)NC(=S)NCCCN2C(=O)CCC2

Other Names for this Substance

  • Benzoic acid, 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]-, methyl ester
  • Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate