(4-nitrophenyl)methyl N'-methylcarbamimidothioate

Systemtic Name: (4-nitrophenyl)methyl N'-methylcarbamimidothioate Openeye Name: 3-methyl-2-[(4-nitrophenyl)methyl]isothiourea CAS Name: N'-methylcarbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-methylcarbamimidothioate Traditional Name: 3-methyl-2-(4-nitrobenzyl)isothiourea Formula: C9H11N3O2S MolecularWeight: 225.26754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N3O2S/c1-11-9(10)15-6-7-2-4-8(5-3-7)12(13)14/h2-5H,6H2,1H3,(H2,10,11)