| PDB CCD ID: | C1A |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H22 N8 S2 |
| InChI: | InChI=1S/C14H22N8S2/c1-7-3-10(6-24-14(20)22-12(17)18)8(2)4-9(7)5-23-13(19)21-11(15)16/h3-4H,5-6H2,1-2H3,(H5,15,16,19,21)(H5,17,18,20,22) |
| InChIKey: | UQMGTQSCMRRWFV-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | Cc1cc(CSC(=N)NC(N)=N)c(C)cc1CSC(=N)NC(N)=N | | OpenEye OEToolkits 1.7.2 | [H]/N=C(/N/C(=N\[H])/SCc1c(cc(c(c1)C)CS/C(=N/[H])/N/C(=N/[H])/N)C)\N | | OpenEye OEToolkits 1.7.2 | Cc1cc(c(cc1CSC(=N)NC(=N)N)C)CSC(=N)NC(=N)N | | ACDLabs 12.01 | S(C(=[N@H])NC(=[N@H])N)Cc1cc(c(cc1C)CSC(=[N@H])NC(=[N@H])N)C |
|
| Name: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate);
4-({[(E)-{[(E)-AMINO(IMINO)METHYL]AMINO}(IMINO)METHYL]SULFANYL}METHYL)-2,5-DIMETHYLBENZYL N-[(E)-AMINO(IMINO)METHYL]IMIDOTHIOCARBAMATE |
| ChEMBL: | CHEMBL213969 |
| ZINC: | ZINC000014966613 |
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