methyl N'-methyl-N-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]carbamimidothioate

Systemtic Name: methyl N'-methyl-N-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]carbamimidothioate Openeye Name: 1-[2-(isoxazol-3-ylmethylsulfanyl)ethyl]-2,3-dimethyl-isothiourea CAS Name: N-[2-(3-isoxazolylmethylthio)ethyl]-N'-methylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-methyl-N-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]carbamimidothioate Traditional Name: 1-[2-(isoxazol-3-ylmethylthio)ethyl]-2,3-dimethyl-isothiourea Formula: C9H15N3OS2 MolecularWeight: 245.3649

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCCSCC1=NOC=C1)SC

Isomeric SMILES

CN=C(NCCSCC1=NOC=C1)SC

InChI

InChI=1S/C9H15N3OS2/c1-10-9(14-2)11-4-6-15-7-8-3-5-13-12-8/h3,5H,4,6-7H2,1-2H3,(H,10,11)