(4-nitrophenyl)methyl N'-(2-methoxyethyl)carbamimidothioate

Systemtic Name: (4-nitrophenyl)methyl N'-(2-methoxyethyl)carbamimidothioate Openeye Name: 3-(2-methoxyethyl)-2-[(4-nitrophenyl)methyl]isothiourea CAS Name: N'-(2-methoxyethyl)carbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-(2-methoxyethyl)carbamimidothioate Traditional Name: 3-(2-methoxyethyl)-2-(4-nitrobenzyl)isothiourea Formula: C11H15N3O3S MolecularWeight: 269.3201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O3S/c1-17-7-6-13-11(12)18-8-9-2-4-10(5-3-9)14(15)16/h2-5H,6-8H2,1H3,(H2,12,13)