EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:47662 - 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE
| Formula | C20H19ClN4O3S2 |
| Net Charge | 0 |
| Average Mass | 462.984 |
| Monoisotopic Mass | 462.05871 |
| SMILES | [H]/N=C(\c1c([H])c([H])c(C([H])([H])N2C(=O)C([H])([H])N(S(=O)(=O)c3sc4c([H])c(Cl)c([H])c([H])c4c3[H])C([H])([H])C2([H])[H])c([H])c1[H])N([H])[H] |
| InChI | InChI=1S/C20H19ClN4O3S2/c21-16-6-5-15-9-19(29-17(15)10-16)30(27,28)25-8-7-24(18(26)12-25)11-13-1-3-14(4-2-13)20(22)23/h1-6,9-10H,7-8,11-12H2,(H3,22,23) |
| InChIKey | VXONTEUOQXFJJS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE (CHEBI:47662) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE | PDBeChem |
| 4-({4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| RTR | PDBeChem |