methyl N'-[3-(4-methoxyphenyl)-3-pyridin-2-yl-propyl]carbamimidothioate

Systemtic Name: methyl N'-[3-(4-methoxyphenyl)-3-pyridin-2-yl-propyl]carbamimidothioate Openeye Name: 3-[3-(4-methoxyphenyl)-3-(2-pyridyl)propyl]-2-methyl-isothiourea CAS Name: N'-[3-(4-methoxyphenyl)-3-(2-pyridinyl)propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[3-(4-methoxyphenyl)-3-pyridin-2-ylpropyl]carbamimidothioate Traditional Name: 3-[3-(4-methoxyphenyl)-3-(2-pyridyl)propyl]-2-methyl-isothiourea Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CCN=C(N)SC)C2=CC=CC=N2

Isomeric SMILES

COC1=CC=C(C=C1)C(CCN=C(N)SC)C2=CC=CC=N2

InChI

InChI=1S/C17H21N3OS/c1-21-14-8-6-13(7-9-14)15(10-12-20-17(18)22-2)16-5-3-4-11-19-16/h3-9,11,15H,10,12H2,1-2H3,(H2,18,20)