ZVK

ethyl N'-(4-ethylphenyl)-N-methylcarbamimidothioate

Created:2023-07-05
Last modified:  2023-07-26

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count0
Bond Count33
Aromatic Bond Count6
2D diagram of ZVK

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Chemical Component Summary

Nameethyl N'-(4-ethylphenyl)-N-methylcarbamimidothioate
Systematic Name (OpenEye OEToolkits)ethyl ~{N}'-(4-ethylphenyl)-~{N}-methyl-carbamimidothioate
FormulaC12 H18 N2 S
Molecular Weight222.35
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CNC(/SCC)=N/c1ccc(cc1)CC
SMILESCACTVS3.385CCSC(NC)=Nc1ccc(CC)cc1
SMILESOpenEye OEToolkits2.0.7CCc1ccc(cc1)N=C(NC)SCC
Canonical SMILESCACTVS3.385 CCSC(NC)=Nc1ccc(CC)cc1
Canonical SMILESOpenEye OEToolkits2.0.7 CCc1ccc(cc1)/N=C(/NC)\SCC
InChIInChI1.06 InChI=1S/C12H18N2S/c1-4-10-6-8-11(9-7-10)14-12(13-3)15-5-2/h6-9H,4-5H2,1-3H3,(H,13,14)
InChIKeyInChI1.06 ZUMALHSBJIUQMI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 168451769