1EH

4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide

Created:	2013-01-03
Last modified:	2013-08-28

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1 entries where 1EH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	21

2D diagram of 1EH

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Chemical Component Summary
Name	4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide
Systematic Name (OpenEye OEToolkits)	4-[5-[(2-chloranylpyridin-4-yl)methylcarbamoyl]thiophen-2-yl]-1-benzothiophene-2-carboxamide
Formula	C₂₀ H₁₄ Cl N₃ O₂ S₂
Molecular Weight	427.927
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c3sc(c2c1c(sc(C(=O)N)c1)ccc2)cc3)NCc4ccnc(Cl)c4
SMILES	CACTVS	3.370	NC(=O)c1sc2cccc(c3sc(cc3)C(=O)NCc4ccnc(Cl)c4)c2c1
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCc4ccnc(c4)Cl
Canonical SMILES	CACTVS	3.370	NC(=O)c1sc2cccc(c3sc(cc3)C(=O)NCc4ccnc(Cl)c4)c2c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCc4ccnc(c4)Cl
InChI	InChI	1.03	InChI=1S/C20H14ClN3O2S2/c21-18-8-11(6-7-23-18)10-24-20(26)16-5-4-15(27-16)12-2-1-3-14-13(12)9-17(28-14)19(22)25/h1-9H,10H2,(H2,22,25)(H,24,26)
InChIKey	InChI	1.03	SKAFXNGFXPGQIG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71664582

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