methyl N-[(4,6-dimethylpyridin-2-yl)-methyl-amino]-N'-phenyl-carbamimidothioate

Systemtic Name: methyl N-[(4,6-dimethylpyridin-2-yl)-methyl-amino]-N'-phenyl-carbamimidothioate Openeye Name: 1-[(4,6-dimethyl-2-pyridyl)-methyl-amino]-2-methyl-3-phenyl-isothiourea CAS Name: N-[(4,6-dimethyl-2-pyridinyl)-methylamino]-N'-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(4,6-dimethylpyridin-2-yl)-methylamino]-N'-phenylcarbamimidothioate Traditional Name: 1-[(4,6-dimethyl-2-pyridyl)-methyl-amino]-2-methyl-3-phenyl-isothiourea Formula: C16H20N4S MolecularWeight: 300.4218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1)N(C)NC(=NC2=CC=CC=C2)SC)C

Isomeric SMILES

CC1=CC(=NC(=C1)N(C)NC(=NC2=CC=CC=C2)SC)C

InChI

InChI=1S/C16H20N4S/c1-12-10-13(2)17-15(11-12)20(3)19-16(21-4)18-14-8-6-5-7-9-14/h5-11H,1-4H3,(H,18,19)