43E

1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea

Created:	2011-10-10
Last modified:	2012-09-28

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3 entries where 43E is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	11

2D diagram of 43E

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Chemical Component Summary
Name	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea
Systematic Name (OpenEye OEToolkits)	1-[3-[[3,5-bis(chloranyl)phenyl]methylamino]propyl]-3-thiophen-3-yl-urea
Formula	C₁₅ H₁₇ Cl₂ N₃ O S
Molecular Weight	358.286
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc2ccsc2
SMILES	CACTVS	3.370	Clc1cc(Cl)cc(CNCCCNC(=O)Nc2cscc2)c1
SMILES	OpenEye OEToolkits	1.7.2	c1cscc1NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl
Canonical SMILES	CACTVS	3.370	Clc1cc(Cl)cc(CNCCCNC(=O)Nc2cscc2)c1
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1cscc1NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl
InChI	InChI	1.03	InChI=1S/C15H17Cl2N3OS/c16-12-6-11(7-13(17)8-12)9-18-3-1-4-19-15(21)20-14-2-5-22-10-14/h2,5-8,10,18H,1,3-4,9H2,(H2,19,20,21)
InChIKey	InChI	1.03	DGBJLEREWKGWML-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	60195274
ChEMBL	CHEMBL2159535

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