methyl N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-carbamimidothioate

Systemtic Name: methyl N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-carbamimidothioate Openeye Name: 1-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-2,3-dimethyl-isothiourea CAS Name: N-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-N'-methylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N'-methylcarbamimidothioate Traditional Name: 1-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]-2,3-dimethyl-isothiourea Formula: C13H23N3OS2 MolecularWeight: 301.47122

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCCSCC1=CC=C(O1)CN(C)C)SC

Isomeric SMILES

CN=C(NCCSCC1=CC=C(O1)CN(C)C)SC

InChI

InChI=1S/C13H23N3OS2/c1-14-13(18-4)15-7-8-19-10-12-6-5-11(17-12)9-16(2)3/h5-6H,7-10H2,1-4H3,(H,14,15)