methyl N-cyano-N'-[2-(2,6-dimethylphenoxy)ethyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2-(2,6-dimethylphenoxy)ethyl]carbamimidothioate Openeye Name: 1-cyano-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[2-(2,6-dimethylphenoxy)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-(2,6-dimethylphenoxy)ethyl]carbamimidothioate Traditional Name: 1-cyano-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methyl-isothiourea Formula: C13H17N3OS MolecularWeight: 263.35858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCN=C(NC#N)SC

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCN=C(NC#N)SC

InChI

InChI=1S/C13H17N3OS/c1-10-5-4-6-11(2)12(10)17-8-7-15-13(18-3)16-9-14/h4-6H,7-8H2,1-3H3,(H,15,16)