(6-methyl-3-oxidanyl-2-phenethyl-pyridin-4-yl)methyl carbamimidothioate

Systemtic Name: (6-methyl-3-oxidanyl-2-phenethyl-pyridin-4-yl)methyl carbamimidothioate Openeye Name: 2-[(3-hydroxy-6-methyl-2-phenethyl-4-pyridyl)methyl]isothiourea CAS Name: carbamimidothioic acid (3-hydroxy-6-methyl-2-phenethyl-4-pyridinyl)methyl ester IUPAC Name: (3-hydroxy-6-methyl-2-phenethylpyridin-4-yl)methyl carbamimidothioate Traditional Name: 2-[(3-hydroxy-6-methyl-2-phenethyl-4-pyridyl)methyl]isothiourea Formula: C16H19N3OS MolecularWeight: 301.40656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)CSC(=N)N)O)CCC2=CC=CC=C2

Isomeric SMILES

CC1=NC(=C(C(=C1)CSC(=N)N)O)CCC2=CC=CC=C2

InChI

InChI=1S/C16H19N3OS/c1-11-9-13(10-21-16(17)18)15(20)14(19-11)8-7-12-5-3-2-4-6-12/h2-6,9,20H,7-8,10H2,1H3,(H3,17,18)