methyl N-[(4-tert-butylphenyl)methyl]-N'-methyl-carbamimidothioate

Systemtic Name: methyl N-[(4-tert-butylphenyl)methyl]-N'-methyl-carbamimidothioate Openeye Name: 1-[(4-tert-butylphenyl)methyl]-2,3-dimethyl-isothiourea CAS Name: N-[(4-tert-butylphenyl)methyl]-N'-methylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(4-tert-butylphenyl)methyl]-N'-methylcarbamimidothioate Traditional Name: 1-(4-tert-butylbenzyl)-2,3-dimethyl-isothiourea Formula: C14H22N2S MolecularWeight: 250.40288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=NC)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=NC)SC

InChI

InChI=1S/C14H22N2S/c1-14(2,3)12-8-6-11(7-9-12)10-16-13(15-4)17-5/h6-9H,10H2,1-5H3,(H,15,16)