CHEBI:119888 - 1-(4-ethoxyphenyl)-3-(5-isoquinolinyl)thiourea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(4-ethoxyphenyl)-3-(5-isoquinolinyl)thiourea
ChEBI ID CHEBI:119888
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H17N3OS
Net Charge 0
Average Mass 323.414
Monoisotopic Mass 323.10923
InChI InChI=1S/C18H17N3OS/c1-2-22-15-8-6-14(7-9-15)20-18(23)21-17-5-3-4-13-12-19-11-10-16(13)17/h3-12H,2H2,1H3,(H2,20,21,23)
InChIKey VLNSVTSRPOFHBE-UHFFFAOYSA-N
SMILES CCOC1=CC=C(C=C1)NC(=S)NC2=CC=CC3=C2C=CN=C3
ChEBI Ontology
Outgoing 1-(4-ethoxyphenyl)-3-(5-isoquinolinyl)thiourea (CHEBI:119888) is a isoquinolines (CHEBI:24922)
Manual Xref Database
LSM-31332 LINCS
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