(2,5-dimethylphenyl)methyl N'-(2-methoxyethyl)carbamimidothioate

Systemtic Name: (2,5-dimethylphenyl)methyl N'-(2-methoxyethyl)carbamimidothioate Openeye Name: 2-[(2,5-dimethylphenyl)methyl]-3-(2-methoxyethyl)isothiourea CAS Name: N'-(2-methoxyethyl)carbamimidothioic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl N'-(2-methoxyethyl)carbamimidothioate Traditional Name: 2-(2,5-dimethylbenzyl)-3-(2-methoxyethyl)isothiourea Formula: C13H20N2OS MolecularWeight: 252.3757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC(=NCCOC)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC(=NCCOC)N

InChI

InChI=1S/C13H20N2OS/c1-10-4-5-11(2)12(8-10)9-17-13(14)15-6-7-16-3/h4-5,8H,6-7,9H2,1-3H3,(H2,14,15)