methyl N'-[[2,6-bis(dimethylamino)phenyl]methyl]-N-cyano-carbamimidothioate

Systemtic Name: methyl N'-[[2,6-bis(dimethylamino)phenyl]methyl]-N-cyano-carbamimidothioate Openeye Name: 3-[[2,6-bis(dimethylamino)phenyl]methyl]-1-cyano-2-methyl-isothiourea CAS Name: N'-[[2,6-bis(dimethylamino)phenyl]methyl]-N-cyanocarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[[2,6-bis(dimethylamino)phenyl]methyl]-N-cyanocarbamimidothioate Traditional Name: 3-[2,6-bis(dimethylamino)benzyl]-1-cyano-2-methyl-isothiourea Formula: C14H21N5S MolecularWeight: 291.41504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C(=CC=C1)N(C)C)CN=C(NC#N)SC

Isomeric SMILES

CN(C)C1=C(C(=CC=C1)N(C)C)CN=C(NC#N)SC

InChI

InChI=1S/C14H21N5S/c1-18(2)12-7-6-8-13(19(3)4)11(12)9-16-14(20-5)17-10-15/h6-8H,9H2,1-5H3,(H,16,17)