O-[2-(4-methylphenyl)ethyl] N-(4-nitrophenyl)carbamothioate

Systemtic Name: O-[2-(4-methylphenyl)ethyl] N-(4-nitrophenyl)carbamothioate Openeye Name: O-[2-(p-tolyl)ethyl] N-(4-nitrophenyl)carbamothioate CAS Name: N-(4-nitrophenyl)carbamothioic acid O-[2-(4-methylphenyl)ethyl] ester IUPAC Name: O-[2-(4-methylphenyl)ethyl] N-(4-nitrophenyl)carbamothioate Traditional Name: N-(4-nitrophenyl)thiocarbamic acid O-[2-(p-tolyl)ethyl] ester Formula: C16H16N2O3S MolecularWeight: 316.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCOC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CCOC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O3S/c1-12-2-4-13(5-3-12)10-11-21-16(22)17-14-6-8-15(9-7-14)18(19)20/h2-9H,10-11H2,1H3,(H,17,22)