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

Systemtic Name: [1-(4-nitrophenyl)-2-oxidanylidene-pyrrolidin-3-yl] N,N'-dimethylcarbamimidothioate Openeye Name: 1,3-dimethyl-2-[1-(4-nitrophenyl)-2-oxo-pyrrolidin-3-yl]isothiourea CAS Name: N,N'-dimethylcarbamimidothioic acid [1-(4-nitrophenyl)-2-oxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-nitrophenyl)-2-oxopyrrolidin-3-yl] N,N'-dimethylcarbamimidothioate Traditional Name: 2-[2-keto-1-(4-nitrophenyl)pyrrolidin-3-yl]-1,3-dimethyl-isothiourea Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3S/c1-14-13(15-2)21-11-7-8-16(12(11)18)9-3-5-10(6-4-9)17(19)20/h3-6,11H,7-8H2,1-2H3,(H,14,15)