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UC2

Summary
Name:N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE
Synonyms:UC10
Formula:C17 H19 Cl N2 O2 S
Formal charge:0
Formula weight:350.863 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-{3-[(E)-(tert-butoxyimino)methyl]-4-chlorophenyl}-2-methylfuran-3-carbothioamide
OpenEye OEToolkits1.5.0N-[4-chloro-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-2-methyl-furan-3-carbothioamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04S=C(Nc1cc(\C=N\OC(C)(C)C)c(Cl)cc1)c2c(occ2)C
SMILES_CANONICALCACTVS3.341Cc1occc1C(=S)Nc2ccc(Cl)c(\C=N\OC(C)(C)C)c2
SMILESCACTVS3.341Cc1occc1C(=S)Nc2ccc(Cl)c(C=NOC(C)(C)C)c2
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1c(cco1)C(=S)Nc2ccc(c(c2)\C=N\OC(C)(C)C)Cl
SMILESOpenEye OEToolkits1.5.0Cc1c(cco1)C(=S)Nc2ccc(c(c2)C=NOC(C)(C)C)Cl
InChIInChI1.03InChI=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+
InChIKeyInChI1.03PLGIIOKXCKDKEU-VXLYETTFSA-N

223532

건을2024-08-07부터공개중

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