<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">297286</id>
  <title nil="true"/>
  <common-name>5-(diethylamino)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione</common-name>
  <description>5-(diethylamino)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione belongs to the n-phenylthioureas, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C15H19N3O3S and an average molecular weight of 321.40 g/mol.</description>
  <cas>92650-05-0</cas>
  <pubchem-id>3033749</pubchem-id>
  <chemical-formula>C15H19N3O3S</chemical-formula>
  <weight>321.4</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">2026-08-28T13:31:12Z</created-at>
  <updated-at type="dateTime">2026-08-28T13:31:12Z</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)C1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)OC</moldb-smiles>
  <moldb-formula>C15H19N3O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C15H19N3O3S/c1-4-17(5-2)12-13(19)16-15(22)18(14(12)20)10-6-8-11(21-3)9-7-10/h6-9,12H,4-5H2,1-3H3,(H,16,19,22)</moldb-inchi>
  <moldb-inchikey>RVLOFLAZNICSBS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">321.1147127</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.1</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>CHEM293179</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>5-(diethylamino)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione</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>CED0248672</sync-id>
  <structure-inchikey>RVLOFLAZNICSBS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000000000800040000000000000000000000100000000004000000000100002000020200400000000000000020000000000000000000000000000000000000000000000000000000000000020080000002100000200000000000000040000000000010040000000004000000000000900000000000000000000100020000048000000000000200000000000000084000000000000000000000000000000000002000000000000080000000000000001000000000000000000000080000000000000000000000000000000000002000000040000000200000000000000000040000000000040000000000000000000001000000040000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`�������`�������(�������(�������h��������(�������(�������(�������(�������(������@(������@h�������@h�������@(������@h�������@h��������(�������`��������������������������(��� �	 	
(�	� �� �(��� ��h���h���h���h���h��� ��������h�B��������	�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:08:14Z</structure-indexed-at>
</compound>
