UC2

N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE

Created:	1999-07-08
Last modified:	2020-06-05

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1 entries where UC2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	11

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Chemical Component Summary
Name	N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE
Synonyms	UC10
Systematic Name (OpenEye OEToolkits)	N-[4-chloro-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-2-methyl-furan-3-carbothioamide
Formula	C₁₇ H₁₉ Cl N₂ O₂ S
Molecular Weight	350.863
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	S=C(Nc1cc(\C=N\OC(C)(C)C)c(Cl)cc1)c2c(occ2)C
SMILES	CACTVS	3.341	Cc1occc1C(=S)Nc2ccc(Cl)c(C=NOC(C)(C)C)c2
SMILES	OpenEye OEToolkits	1.5.0	Cc1c(cco1)C(=S)Nc2ccc(c(c2)C=NOC(C)(C)C)Cl
Canonical SMILES	CACTVS	3.341	Cc1occc1C(=S)Nc2ccc(Cl)c(\C=N\OC(C)(C)C)c2
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1c(cco1)C(=S)Nc2ccc(c(c2)\C=N\OC(C)(C)C)Cl
InChI	InChI	1.03	InChI=1S/C17H19ClN2O2S/c1-11-14(7-8-21-11)16(23)20-13-5-6-15(18)12(9-13)10-19-22-17(2,3)4/h5-10H,1-4H3,(H,20,23)/b19-10+
InChIKey	InChI	1.03	PLGIIOKXCKDKEU-VXLYETTFSA-N

Drug Info: DrugBank

DrugBank ID	DB08680
Name	N-{3-[(E)-(tert-butoxyimino)methyl]-4-chlorophenyl}-2-methylfuran-3-carbimidothioic acid
Groups	experimental
Synonyms	N-{3-[(E)-(tert-butoxyimino)methyl]-4-chlorophenyl}-2-methylfuran-3-carbimidothioic acid
CAS number	172998-57-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Gag-Pol polyprotein	MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGL...	unknown

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