methyl N'-(2-pyrrolidin-1-ylphenyl)carbamimidothioate hydroiodide

Systemtic Name: methyl N'-(2-pyrrolidin-1-ylphenyl)carbamimidothioate hydroiodide Openeye Name: 2-methyl-3-(2-pyrrolidin-1-ylphenyl)isothiourea hydroiodide CAS Name: N'-[2-(1-pyrrolidinyl)phenyl]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-(2-pyrrolidin-1-ylphenyl)carbamimidothioate hydroiodide Traditional Name: 2-methyl-3-(2-pyrrolidinophenyl)isothiourea hydroiodide Formula: C12H18IN3S MolecularWeight: 363.26089

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=CC=C1N2CCCC2)N.I

Isomeric SMILES

CSC(=NC1=CC=CC=C1N2CCCC2)N.I

InChI

InChI=1S/C12H17N3S.HI/c1-16-12(13)14-10-6-2-3-7-11(10)15-8-4-5-9-15;/h2-3,6-7H,4-5,8-9H2,1H3,(H2,13,14);1H