CHEBI:109018 - 1-(5-isoquinolinyl)-3-(2-phenylethyl)thiourea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(5-isoquinolinyl)-3-(2-phenylethyl)thiourea
ChEBI ID CHEBI:109018
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H17N3S
Net Charge 0
Average Mass 307.414
Monoisotopic Mass 307.11432
InChI InChI=1S/C18H17N3S/c22-18(20-12-9-14-5-2-1-3-6-14)21-17-8-4-7-15-13-19-11-10-16(15)17/h1-8,10-11,13H,9,12H2,(H2,20,21,22)
InChIKey KMFSWUHRISKCRW-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)CCNC(=S)NC2=CC=CC3=C2C=CN=C3
ChEBI Ontology
Outgoing 1-(5-isoquinolinyl)-3-(2-phenylethyl)thiourea (CHEBI:109018) is a isoquinolines (CHEBI:24922)
Manual Xref Database
LSM-20416 LINCS
View more database links