CHEBI:107170 - 1-(4-methyl-3-nitrophenyl)-3-[(4-methylphenyl)methyl]thiourea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(4-methyl-3-nitrophenyl)-3-[(4-methylphenyl)methyl]thiourea
ChEBI ID CHEBI:107170
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H17N3O2S
Net Charge 0
Average Mass 315.392
Monoisotopic Mass 315.10415
InChI InChI=1S/C16H17N3O2S/c1-11-3-6-13(7-4-11)10-17-16(22)18-14-8-5-12(2)15(9-14)19(20)21/h3-9H,10H2,1-2H3,(H2,17,18,22)
InChIKey KCQPVJUGQGNIHG-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)CNC(=S)NC2=CC(=C(C=C2)C)[N+](=O)[O-]
ChEBI Ontology
Outgoing 1-(4-methyl-3-nitrophenyl)-3-[(4-methylphenyl)methyl]thiourea (CHEBI:107170) is a thioureas (CHEBI:51276)
Manual Xref Database
LSM-18524 LINCS
View more database links