CHEBI:116546 - 1-[(1'-acetyl-6-hydroxy-4-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]ylidene)amino]-3-(4-methylphenyl)thiourea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(1'-acetyl-6-hydroxy-4-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]ylidene)amino]-3-(4-methylphenyl)thiourea
ChEBI ID CHEBI:116546
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H26N4O3S
Net Charge 0
Average Mass 438.544
Monoisotopic Mass 438.17256
InChI InChI=1S/C23H26N4O3S/c1-15-3-5-17(6-4-15)24-22(31)26-25-20-14-23(9-11-27(12-10-23)16(2)28)30-21-8-7-18(29)13-19(20)21/h3-8,13,29H,9-12,14H2,1-2H3,(H2,24,26,31)
InChIKey OYHRYVPSYREGSG-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)NC(=S)NN=C2CC3(CCN(CC3)C(=O)C)OC4=C2C=C(C=C4)O
ChEBI Ontology
Outgoing 1-[(1'-acetyl-6-hydroxy-4-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]ylidene)amino]-3-(4-methylphenyl)thiourea (CHEBI:116546) is a 1-benzopyran (CHEBI:38443)
Manual Xref Database
LSM-28001 LINCS
View more database links