Methyl 4-[4-[[(2-ethoxyphenyl)amino]thioxomethyl]-1-piperazinyl]-3-nitrobenzoate

CAS Registry Number®

882747-89-9
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CAS Name

Methyl 4-[4-[[(2-ethoxyphenyl)amino]thioxomethyl]-1-piperazinyl]-3-nitrobenzoate

Molecular Formula

C21H24N4O5S

Molecular Mass

444.50

Cite this Page

Methyl 4-[4-[[(2-ethoxyphenyl)amino]thioxomethyl]-1-piperazinyl]-3-nitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=882747-89-9 (retrieved 2024-08-11) (CAS RN: 882747-89-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H24N4O5S/c1-3-30-19-7-5-4-6-16(19)22-21(31)24-12-10-23(11-13-24)17-9-8-15(20(26)29-2)14-18(17)25(27)28/h4-9,14H,3,10-13H2,1-2H3,(H,22,31)

InChIKey

InChIKey=SAJBNSJQSQWYDG-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(C=CC(C(OC)=O)=C1)N2CCN(C(NC3=C(OCC)C=CC=C3)=S)CC2

Canonical SMILES

O=C(OC)C1=CC=C(C(=C1)N(=O)=O)N2CCN(C(=S)NC=3C=CC=CC3OCC)CC2

Other Names for this Substance

  • Benzoic acid, 4-[4-[[(2-ethoxyphenyl)amino]thioxomethyl]-1-piperazinyl]-3-nitro-, methyl ester
  • Methyl 4-[4-[[(2-ethoxyphenyl)amino]thioxomethyl]-1-piperazinyl]-3-nitrobenzoate