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

Formal Charge0
Atom Count55
Chiral Atom Count0
Bond Count58
Aromatic Bond Count17
2D diagram of S8O

Chemical Component Summary

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
FormulaC24 H24 Cl N3 O2 S
Molecular Weight453.984
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCCCC3)Oc4ccc(Cl)cc4)c2
SMILESOpenEye OEToolkits3.1.0.0c1cc(cc(c1)NC(=O)C2(CCCCC2)Oc3ccc(cc3)Cl)c4cc(sc4)C(=N)N
Canonical SMILESCACTVS3.385 NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCCCC3)Oc4ccc(Cl)cc4)c2
Canonical SMILESOpenEye OEToolkits3.1.0.0 [H]/N=C(\c1cc(cs1)c2cccc(c2)NC(=O)C3(CCCCC3)Oc4ccc(cc4)Cl)/N
InChIInChI1.06 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)
InChIKeyInChI1.06 BCUGHKZCCBCPSF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 168433023