S8O
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide
Created: | 2022-12-14 |
Last modified: | 2023-08-02 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 55 |
Chiral Atom Count | 0 |
Bond Count | 58 |
Aromatic Bond Count | 17 |
Chemical Component Summary | |
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Name | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide |
Formula | C24 H24 Cl N3 O2 S |
Molecular Weight | 453.984 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCCCC3)Oc4ccc(Cl)cc4)c2 |
SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)NC(=O)C2(CCCCC2)Oc3ccc(cc3)Cl)c4cc(sc4)C(=N)N |
Canonical SMILES | CACTVS | 3.385 | NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCCCC3)Oc4ccc(Cl)cc4)c2 |
Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | [H]/N=C(\c1cc(cs1)c2cccc(c2)NC(=O)C3(CCCCC3)Oc4ccc(cc4)Cl)/N |
InChI | InChI | 1.06 | InChI=1S/C24H24ClN3O2S/c25-18-7-9-20(10-8-18)30-24(11-2-1-3-12-24)23(29)28-19-6-4-5-16(13-19)17-14-21(22(26)27)31-15-17/h4-10,13-15H,1-3,11-12H2,(H3,26,27)(H,28,29) |
InChIKey | InChI | 1.06 | BCUGHKZCCBCPSF-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 168433023 |