1-[2-[[6-(dimethylaminomethyl)-1-benzofuran-2-yl]methylsulfanyl]ethyl]-1-methyl-2-methylsulfonyl-guanidine

Systemtic Name: 1-[2-[[6-(dimethylaminomethyl)-1-benzofuran-2-yl]methylsulfanyl]ethyl]-1-methyl-2-methylsulfonyl-guanidine Openeye Name: 1-[2-[[6-(dimethylaminomethyl)benzofuran-2-yl]methylsulfanyl]ethyl]-1-methyl-2-methylsulfonyl-guanidine CAS Name: 1-[2-[[6-(dimethylaminomethyl)-2-benzofuranyl]methylthio]ethyl]-1-methyl-2-methylsulfonylguanidine IUPAC Name: 1-[2-[[6-(dimethylaminomethyl)-1-benzofuran-2-yl]methylsulfanyl]ethyl]-1-methyl-2-methylsulfonylguanidine Traditional Name: 1-[2-[[6-(dimethylaminomethyl)benzofuran-2-yl]methylthio]ethyl]-2-mesyl-1-methyl-guanidine Formula: C17H26N4O3S2 MolecularWeight: 398.54334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC2=C(C=C1)C=C(O2)CSCCN(C)C(=NS(=O)(=O)C)N

Isomeric SMILES

CN(C)CC1=CC2=C(C=C1)C=C(O2)CSCCN(C)/C(=N\S(=O)(=O)C)/N

InChI

InChI=1S/C17H26N4O3S2/c1-20(2)11-13-5-6-14-10-15(24-16(14)9-13)12-25-8-7-21(3)17(18)19-26(4,22)23/h5-6,9-10H,7-8,11-12H2,1-4H3,(H2,18,19)