4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(5-methylisoxazol-3-yl)methyl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(5-methyl-3-isoxazolyl)methyl]-N-[3-(methylthio)propyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(5-methylisoxazol-3-yl)methyl]-N-[3-(methylthio)propyl]piperazin-4-ium-1-carbothioamide Formula: C14H25N4OS2+ MolecularWeight: 329.5045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=S)NCCCSC

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=S)NCCCSC

InChI

InChI=1S/C14H24N4OS2/c1-12-10-13(16-19-12)11-17-5-7-18(8-6-17)14(20)15-4-3-9-21-2/h10H,3-9,11H2,1-2H3,(H,15,20)/p+1