methyl N-cyano-N'-[4-[6-(dimethylaminomethyl)-1-benzofuran-2-yl]butyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[4-[6-(dimethylaminomethyl)-1-benzofuran-2-yl]butyl]carbamimidothioate Openeye Name: 1-cyano-3-[4-[6-(dimethylaminomethyl)benzofuran-2-yl]butyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[4-[6-(dimethylaminomethyl)-2-benzofuranyl]butyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[4-[6-(dimethylaminomethyl)-1-benzofuran-2-yl]butyl]carbamimidothioate Traditional Name: 1-cyano-3-[4-[6-(dimethylaminomethyl)benzofuran-2-yl]butyl]-2-methyl-isothiourea Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4OS/c1-22(2)12-14-7-8-15-11-16(23-17(15)10-14)6-4-5-9-20-18(24-3)21-13-19/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,20,21)