methyl N'-(2,6-diethylphenyl)carbamimidothioate

Systemtic Name: methyl N'-(2,6-diethylphenyl)carbamimidothioate Openeye Name: 3-(2,6-diethylphenyl)-2-methyl-isothiourea CAS Name: N'-(2,6-diethylphenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(2,6-diethylphenyl)carbamimidothioate Traditional Name: 3-(2,6-diethylphenyl)-2-methyl-isothiourea Formula: C12H18N2S MolecularWeight: 222.34972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N=C(N)SC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N=C(N)SC

InChI

InChI=1S/C12H18N2S/c1-4-9-7-6-8-10(5-2)11(9)14-12(13)15-3/h6-8H,4-5H2,1-3H3,(H2,13,14)