1-cyano-2-[3-[[6-(dimethylaminomethyl)-1-benzofuran-2-yl]methylsulfanyl]propyl]-1-methyl-guanidine

Systemtic Name: 1-cyano-2-[3-[[6-(dimethylaminomethyl)-1-benzofuran-2-yl]methylsulfanyl]propyl]-1-methyl-guanidine Openeye Name: 1-cyano-2-[3-[[6-(dimethylaminomethyl)benzofuran-2-yl]methylsulfanyl]propyl]-1-methyl-guanidine CAS Name: 1-cyano-2-[3-[[6-(dimethylaminomethyl)-2-benzofuranyl]methylthio]propyl]-1-methylguanidine IUPAC Name: 1-cyano-2-[3-[[6-(dimethylaminomethyl)-1-benzofuran-2-yl]methylsulfanyl]propyl]-1-methylguanidine Traditional Name: 1-cyano-2-[3-[[6-(dimethylaminomethyl)benzofuran-2-yl]methylthio]propyl]-1-methyl-guanidine Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC2=C(C=C1)C=C(O2)CSCCCN=C(N)N(C)C#N

Isomeric SMILES

CN(C)CC1=CC2=C(C=C1)C=C(O2)CSCCCN=C(N)N(C)C#N

InChI

InChI=1S/C18H25N5OS/c1-22(2)11-14-5-6-15-10-16(24-17(15)9-14)12-25-8-4-7-21-18(20)23(3)13-19/h5-6,9-10H,4,7-8,11-12H2,1-3H3,(H2,20,21)