[1-(4-nitrophenyl)-2-oxidanylidene-pyrrolidin-3-yl] N'-methylcarbamimidothioate

Systemtic Name: [1-(4-nitrophenyl)-2-oxidanylidene-pyrrolidin-3-yl] N'-methylcarbamimidothioate Openeye Name: 3-methyl-2-[1-(4-nitrophenyl)-2-oxo-pyrrolidin-3-yl]isothiourea CAS Name: N'-methylcarbamimidothioic acid [1-(4-nitrophenyl)-2-oxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-nitrophenyl)-2-oxopyrrolidin-3-yl] N'-methylcarbamimidothioate Traditional Name: 2-[2-keto-1-(4-nitrophenyl)pyrrolidin-3-yl]-3-methyl-isothiourea Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)SC1CCN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN=C(N)SC1CCN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O3S/c1-14-12(13)20-10-6-7-15(11(10)17)8-2-4-9(5-3-8)16(18)19/h2-5,10H,6-7H2,1H3,(H2,13,14)