methyl N'-[2-[(phenylmethyl)-pyridin-2-yl-amino]ethyl]carbamimidothioate

Systemtic Name: methyl N'-[2-[(phenylmethyl)-pyridin-2-yl-amino]ethyl]carbamimidothioate Openeye Name: 3-[2-[benzyl(2-pyridyl)amino]ethyl]-2-methyl-isothiourea CAS Name: N'-[2-[(phenylmethyl)-(2-pyridinyl)amino]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[2-[benzyl(pyridin-2-yl)amino]ethyl]carbamimidothioate Traditional Name: 3-[2-[benzyl(2-pyridyl)amino]ethyl]-2-methyl-isothiourea Formula: C16H20N4S MolecularWeight: 300.4218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCN(CC1=CC=CC=C1)C2=CC=CC=N2)N

Isomeric SMILES

CSC(=NCCN(CC1=CC=CC=C1)C2=CC=CC=N2)N

InChI

InChI=1S/C16H20N4S/c1-21-16(17)19-11-12-20(15-9-5-6-10-18-15)13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H2,17,19)