EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C22H27N3O2S |
| Net Charge | 0 |
| Average Mass | 397.544 |
| Monoisotopic Mass | 397.18240 |
| SMILES | COc1cc(NC(=S)N2CCN(CC=Cc3ccccc3)CC2)cc(OC)c1 |
| InChI | InChI=1S/C22H27N3O2S/c1-26-20-15-19(16-21(17-20)27-2)23-22(28)25-13-11-24(12-14-25)10-6-9-18-7-4-3-5-8-18/h3-9,15-17H,10-14H2,1-2H3,(H,23,28) |
| InChIKey | JAFQAOSQKDLMQS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3,5-dimethoxyphenyl)-4-(3-phenylprop-2-enyl)-1-piperazinecarbothioamide (CHEBI:112155) is a thioureas (CHEBI:51276) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23567 | LINCS |