methyl N-cyano-N'-[2-[[6-(dimethylaminomethyl)-1-benzofuran-2-yl]methylsulfanyl]ethyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2-[[6-(dimethylaminomethyl)-1-benzofuran-2-yl]methylsulfanyl]ethyl]carbamimidothioate Openeye Name: 1-cyano-3-[2-[[6-(dimethylaminomethyl)benzofuran-2-yl]methylsulfanyl]ethyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[2-[[6-(dimethylaminomethyl)-2-benzofuranyl]methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-[[6-(dimethylaminomethyl)-1-benzofuran-2-yl]methylsulfanyl]ethyl]carbamimidothioate Traditional Name: 1-cyano-3-[2-[[6-(dimethylaminomethyl)benzofuran-2-yl]methylthio]ethyl]-2-methyl-isothiourea Formula: C17H22N4OS2 MolecularWeight: 362.51278

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC2=C(C=C1)C=C(O2)CSCCN=C(NC#N)SC

Isomeric SMILES

CN(C)CC1=CC2=C(C=C1)C=C(O2)CSCCN=C(NC#N)SC

InChI

InChI=1S/C17H22N4OS2/c1-21(2)10-13-4-5-14-9-15(22-16(14)8-13)11-24-7-6-19-17(23-3)20-12-18/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,19,20)