methyl N'-butyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate hydroiodide

Systemtic Name: methyl N'-butyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate hydroiodide Openeye Name: 3-butyl-2-methyl-1-(2-morpholinophenyl)isothiourea hydroiodide CAS Name: N'-butyl-N-[2-(4-morpholinyl)phenyl]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-butyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate hydroiodide Traditional Name: 3-butyl-2-methyl-1-(2-morpholinophenyl)isothiourea hydroiodide Formula: C16H26IN3OS MolecularWeight: 435.36661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(NC1=CC=CC=C1N2CCOCC2)SC.I

Isomeric SMILES

CCCCN=C(NC1=CC=CC=C1N2CCOCC2)SC.I

InChI

InChI=1S/C16H25N3OS.HI/c1-3-4-9-17-16(21-2)18-14-7-5-6-8-15(14)19-10-12-20-13-11-19;/h5-8H,3-4,9-13H2,1-2H3,(H,17,18);1H