(2-oxidanylidene-1-phenyl-pyrrolidin-3-yl) N'-methylcarbamimidothioate

Systemtic Name: (2-oxidanylidene-1-phenyl-pyrrolidin-3-yl) N'-methylcarbamimidothioate Openeye Name: 3-methyl-2-(2-oxo-1-phenyl-pyrrolidin-3-yl)isothiourea CAS Name: N'-methylcarbamimidothioic acid (2-oxo-1-phenyl-3-pyrrolidinyl) ester IUPAC Name: (2-oxo-1-phenylpyrrolidin-3-yl) N'-methylcarbamimidothioate Traditional Name: 2-(2-keto-1-phenyl-pyrrolidin-3-yl)-3-methyl-isothiourea Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)SC1CCN(C1=O)C2=CC=CC=C2

Isomeric SMILES

CN=C(N)SC1CCN(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C12H15N3OS/c1-14-12(13)17-10-7-8-15(11(10)16)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,13,14)