A1JY7
Summary
| Name: | (E)-2-(4-(4-hexyl-2-hydroxyphenoxy)benzylidene)hydrazine-1-carbothioamide |
| Synonyms: | 1-[({E})-[4-(4-hexyl-2-oxidanyl-phenoxy)phenyl]methylideneamino]thiourea |
| Formula: | C20 H25 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 371.496 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(~{E})-[4-(4-hexyl-2-oxidanyl-phenoxy)phenyl]methylideneamino]thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H25N3O2S/c1-2-3-4-5-6-15-9-12-19(18(24)13-15)25-17-10-7-16(8-11-17)14-22-23-20(21)26/h7-14,24H,2-6H2,1H3,(H3,21,23,26)/b22-14+ |
| InChIKey | InChI | 1.06 | SZISEOWVMTUGDL-HYARGMPZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCc1ccc(Oc2ccc(cc2)/C=N/NC(N)=S)c(O)c1 |
| SMILES | CACTVS | 3.385 | CCCCCCc1ccc(Oc2ccc(cc2)C=NNC(N)=S)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)/C=N/NC(=S)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)C=NNC(=S)N |
