methyl N'-[3-[phenyl(pyridin-2-yl)amino]propyl]carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCN(C1=CC=CC=C1)C2=CC=CC=N2)N

Isomeric SMILES

CSC(=NCCCN(C1=CC=CC=C1)C2=CC=CC=N2)N

InChI

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