| PDB CCD ID: | 4BT |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C12 H18 N4 S2 |
| InChI: | InChI=1S/C12H18N4S2/c13-11(14)17-7-5-9-1-2-10(4-3-9)6-8-18-12(15)16/h1-4H,5-8H2,(H3,13,14)(H3,15,16) |
| InChIKey: | FZWGDUUJDZCYJR-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | NC(=N)SCCc1ccc(CCSC(N)=N)cc1 | | OpenEye OEToolkits 1.5.0 | [H]N=C(N)SCCc1ccc(cc1)CCSC(=N)N | | ACDLabs 10.04 | S(C(=[N@H])N)CCc1ccc(cc1)CCSC(=[N@H])N | | OpenEye OEToolkits 1.5.0 | [H]/N=C(/N)\SCCc1ccc(cc1)CCSC(=N)N |
|
| Name: | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA;
S,S'-(1,4-PHENYLENE-BIS(1,2-ETHANEDIYL))BIS-ISOTHIOUREA |
| ChEMBL: | CHEMBL444422 |
| DrugBank: | DB02141 |
| ZINC: | ZINC000003806238 |
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