(4-nitrophenyl)methyl N,N'-dimethylcarbamimidothioate

Systemtic Name: (4-nitrophenyl)methyl N,N'-dimethylcarbamimidothioate Openeye Name: 1,3-dimethyl-2-[(4-nitrophenyl)methyl]isothiourea CAS Name: N,N'-dimethylcarbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N,N'-dimethylcarbamimidothioate Traditional Name: 1,3-dimethyl-2-(4-nitrobenzyl)isothiourea Formula: C10H13N3O2S MolecularWeight: 239.29412

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=NC)SCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CNC(=NC)SCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O2S/c1-11-10(12-2)16-7-8-3-5-9(6-4-8)13(14)15/h3-6H,7H2,1-2H3,(H,11,12)