TKQ

1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea

Created:	2021-01-07
Last modified:	2022-01-12

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2 entries where TKQ 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	12

2D diagram of TKQ

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Chemical Component Summary
Name	1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
Systematic Name (OpenEye OEToolkits)	1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
Formula	C₁₅ H₁₆ I N₃ O₃ S
Molecular Weight	445.275
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(CCNC(=O)Nc2ccc(I)cc2)cc1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1CCNC(=O)Nc2ccc(cc2)I)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(CCNC(=O)Nc2ccc(I)cc2)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1CCNC(=O)Nc2ccc(cc2)I)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C15H16IN3O3S/c16-12-3-5-13(6-4-12)19-15(20)18-10-9-11-1-7-14(8-2-11)23(17,21)22/h1-8H,9-10H2,(H2,17,21,22)(H2,18,19,20)
InChIKey	InChI	1.03	YBQBJSKPHKMSDH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	60446203

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