KTD

1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea

Created:	2012-11-04
Last modified:	2012-11-30

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1 entries where KTD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	16

2D diagram of KTD

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Chemical Component Summary
Name	1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea
Systematic Name (OpenEye OEToolkits)	1-(1,2,3-benzothiadiazol-6-yl)-3-phenacyl-urea
Formula	C₁₅ H₁₂ N₄ O₂ S
Molecular Weight	312.346
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1ccccc1)CNC(=O)Nc2ccc3nnsc3c2
SMILES	CACTVS	3.370	O=C(NCC(=O)c1ccccc1)Nc2ccc3nnsc3c2
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C(=O)CNC(=O)Nc2ccc3c(c2)snn3
Canonical SMILES	CACTVS	3.370	O=C(NCC(=O)c1ccccc1)Nc2ccc3nnsc3c2
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C(=O)CNC(=O)Nc2ccc3c(c2)snn3
InChI	InChI	1.03	InChI=1S/C15H12N4O2S/c20-13(10-4-2-1-3-5-10)9-16-15(21)17-11-6-7-12-14(8-11)22-19-18-12/h1-8H,9H2,(H2,16,17,21)
InChIKey	InChI	1.03	PKHSKYFMULMNOC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2325183
PubChem	70678415
ChEMBL	CHEMBL2325183

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