O-[2-(3-methylphenyl)ethyl] N-(4-nitrophenyl)carbamothioate

Systemtic Name: O-[2-(3-methylphenyl)ethyl] N-(4-nitrophenyl)carbamothioate Openeye Name: O-[2-(m-tolyl)ethyl] N-(4-nitrophenyl)carbamothioate CAS Name: N-(4-nitrophenyl)carbamothioic acid O-[2-(3-methylphenyl)ethyl] ester IUPAC Name: O-[2-(3-methylphenyl)ethyl] N-(4-nitrophenyl)carbamothioate Traditional Name: N-(4-nitrophenyl)thiocarbamic acid O-[2-(m-tolyl)ethyl] ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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