| PDB CCD ID: | ARR |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C20 H20 Cl N3 S |
| InChI: | InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24) |
| InChIKey: | ZZVGLDBDDYESAB-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | [H]N=C(c1cccs1)Nc2ccc(cc2)CCNCc3cccc(c3)Cl | | ACDLabs 10.04 | Clc1cccc(c1)CNCCc3ccc(NC(=[N@H])c2sccc2)cc3 | | OpenEye OEToolkits 1.5.0 | [H]/N=C(/c1cccs1)\Nc2ccc(cc2)CCNCc3cccc(c3)Cl | | CACTVS 3.341 | Clc1cccc(CNCCc2ccc(NC(=N)c3sccc3)cc2)c1 |
|
| Name: | N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE;
N-(4-(2-((3-CHLOROPHENYLMETHYL)AMINO)ETHYL)PHENYL)-2-THIOPHECARBOXAMIDINE |
| ChEMBL: | CHEMBL293212 |
| DrugBank: | DB03449 |
| ZINC: | ZINC000001895591 |
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