TDU

1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea

Created:	2011-07-07
Last modified:	2020-06-05

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1 entries where TDU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	10

2D diagram of TDU

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Chemical Component Summary
Name	1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea
Synonyms	1-(benzo[d][1,2,3]thiadiazol-6-yl)-3-(2-cyclohexenylethyl)urea
Systematic Name (OpenEye OEToolkits)	1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohexen-1-yl)ethyl]urea
Formula	C₁₅ H₁₈ N₄ O S
Molecular Weight	302.395
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCCC1=CCCCC1)Nc2ccc3nnsc3c2
SMILES	CACTVS	3.370	O=C(NCCC1=CCCCC1)Nc2ccc3nnsc3c2
SMILES	OpenEye OEToolkits	1.7.2	c1cc2c(cc1NC(=O)NCCC3=CCCCC3)snn2
Canonical SMILES	CACTVS	3.370	O=C(NCCC1=CCCCC1)Nc2ccc3nnsc3c2
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1cc2c(cc1NC(=O)NCCC3=CCCCC3)snn2
InChI	InChI	1.03	InChI=1S/C15H18N4OS/c20-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)21-19-18-13/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,20)
InChIKey	InChI	1.03	GGXCUZHEJUJACD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	53346504
ChEMBL	CHEMBL2325441

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