<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">324872</id>
  <title nil="true"/>
  <common-name>1-[4-(diethylamino)phenyl]-1-(diethylcarbamothioyl)-3,3-diethylthiourea</common-name>
  <description>1-[4-(diethylamino)phenyl]-1-(diethylcarbamothioyl)-3,3-diethylthiourea is a chemical compound with the formula C20H34N4S2. It has an average molecular weight of 394.60 g/mol.</description>
  <cas>73728-83-3</cas>
  <pubchem-id>52336</pubchem-id>
  <chemical-formula>C20H34N4S2</chemical-formula>
  <weight>394.6</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-30T02:21:46Z</created-at>
  <updated-at type="dateTime">2026-08-30T02:21:46Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCN(CC)C1=CC=C(C=C1)N(C(=S)N(CC)CC)C(=S)N(CC)CC</moldb-smiles>
  <moldb-formula>C20H34N4S2</moldb-formula>
  <moldb-inchi>InChI=1S/C20H34N4S2/c1-7-21(8-2)17-13-15-18(16-14-17)24(19(25)22(9-3)10-4)20(26)23(11-5)12-6/h13-16H,7-12H2,1-6H3</moldb-inchi>
  <moldb-inchikey>ZPIPXXYNETUJHJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">394.2224895</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.6</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM320765</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>1-[4-(diethylamino)phenyl]-1-(diethylcarbamothioyl)-3,3-diethylthiourea</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>N-phenylthioureas</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0275519</sync-id>
  <structure-inchikey>ZPIPXXYNETUJHJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800040020000000000000000080000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000210000000000000000004000000000000800000080002000000090000000004040000400008000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000001000000000000000200000000000000000008000000000040000000400000000000000000000000000000000001</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������`�������`������@(������@h�������@h�������@(������@h�������@h��������(�������(�������(�������(�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������������������� ��h���h���h��	h�	
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	�������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:28:54Z</structure-indexed-at>
</compound>
