NTU

N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE

Created:	2001-03-14
Last modified:	2011-06-04

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1 entries where NTU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	62
Chiral Atom Count	0
Bond Count	61
Aromatic Bond Count	0

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Chemical Component Summary
Name	N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE
Systematic Name (OpenEye OEToolkits)	N'-[14-[(amino-methylsulfanyl-methylidene)amino]tetradecyl]-1-methylsulfanyl-methanimidamide
Formula	C₁₈ H₃₈ N₄ S₂
Molecular Weight	374.651
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	N(=C(/SC)N)\CCCCCCCCCCCCCC/N=C(\SC)N
SMILES	CACTVS	3.341	CSC(N)=NCCCCCCCCCCCCCCN=C(N)SC
SMILES	OpenEye OEToolkits	1.5.0	CSC(=NCCCCCCCCCCCCCCN=C(N)SC)N
Canonical SMILES	CACTVS	3.341	CSC(N)=NCCCCCCCCCCCCCCN=C(N)SC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CS/C(=N\CCCCCCCCCCCCCCN=C(N)SC)/N
InChI	InChI	1.03	InChI=1S/C18H38N4S2/c1-23-17(19)21-15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-18(20)24-2/h3-16H2,1-2H3,(H2,19,21)(H2,20,22)
InChIKey	InChI	1.03	IOKDMHHZKWLWKO-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02979
Name	N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane
Groups	experimental
Synonyms	N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Nitric oxide synthase 3	MGNLKSVAQEPGPPCGLGLGLGLGLCGKQGPATPAPEPSRAPASLLPPAP...	unknown	inhibitor

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682