methyl N-cyano-N'-[2-[[5-(dimethylaminomethyl)-3-methyl-furan-2-yl]methylsulfanyl]ethyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2-[[5-(dimethylaminomethyl)-3-methyl-furan-2-yl]methylsulfanyl]ethyl]carbamimidothioate Openeye Name: 1-cyano-3-[2-[[5-(dimethylaminomethyl)-3-methyl-2-furyl]methylsulfanyl]ethyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[2-[[5-(dimethylaminomethyl)-3-methyl-2-furanyl]methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-[[5-(dimethylaminomethyl)-3-methylfuran-2-yl]methylsulfanyl]ethyl]carbamimidothioate Traditional Name: 1-cyano-3-[2-[[5-(dimethylaminomethyl)-3-methyl-2-furyl]methylthio]ethyl]-2-methyl-isothiourea Formula: C14H22N4OS2 MolecularWeight: 326.48068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CN(C)C)CSCCN=C(NC#N)SC

Isomeric SMILES

CC1=C(OC(=C1)CN(C)C)CSCCN=C(NC#N)SC

InChI

InChI=1S/C14H22N4OS2/c1-11-7-12(8-18(2)3)19-13(11)9-21-6-5-16-14(20-4)17-10-15/h7H,5-6,8-9H2,1-4H3,(H,16,17)