propyl N'-[3-(4-methoxypyridin-2-yl)phenyl]carbamimidothioate

Systemtic Name: propyl N'-[3-(4-methoxypyridin-2-yl)phenyl]carbamimidothioate Openeye Name: 3-[3-(4-methoxy-2-pyridyl)phenyl]-2-propyl-isothiourea CAS Name: N'-[3-(4-methoxy-2-pyridinyl)phenyl]carbamimidothioic acid propyl ester IUPAC Name: propyl N'-[3-(4-methoxypyridin-2-yl)phenyl]carbamimidothioate Traditional Name: 3-[3-(4-methoxy-2-pyridyl)phenyl]-2-propyl-isothiourea Formula: C16H19N3OS MolecularWeight: 301.40656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=NC1=CC=CC(=C1)C2=NC=CC(=C2)OC)N

Isomeric SMILES

CCCSC(=NC1=CC=CC(=C1)C2=NC=CC(=C2)OC)N

InChI

InChI=1S/C16H19N3OS/c1-3-9-21-16(17)19-13-6-4-5-12(10-13)15-11-14(20-2)7-8-18-15/h4-8,10-11H,3,9H2,1-2H3,(H2,17,19)