RZT
Summary
| Name: | 4-azanyl-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide |
| Formula: | C24 H25 Cl N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 468.999 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 4-azanyl-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H25ClN4O2S/c25-17-4-6-20(7-5-17)31-24(10-8-18(26)9-11-24)23(30)29-19-3-1-2-15(12-19)16-13-21(22(27)28)32-14-16/h1-7,12-14,18H,8-11,26H2,(H3,27,28)(H,29,30)/t18-,24+ |
| InChIKey | InChI | 1.06 | YXEQPZNNSMUOEW-OWWJJEGGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CC[C@](CC1)(Oc2ccc(Cl)cc2)C(=O)Nc3cccc(c3)c4csc(c4)C(N)=N |
| SMILES | CACTVS | 3.385 | N[CH]1CC[C](CC1)(Oc2ccc(Cl)cc2)C(=O)Nc3cccc(c3)c4csc(c4)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [H]/N=C(/c1cc(cs1)c2cccc(c2)NC(=O)C3(CCC(CC3)N)Oc4ccc(cc4)Cl)\N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)NC(=O)C2(CCC(CC2)N)Oc3ccc(cc3)Cl)c4cc(sc4)C(=N)N |
