S-[4-(4-nitrophenyl)sulfanylbutyl] N,N-dimethylcarbamothioate

Systemtic Name: S-[4-(4-nitrophenyl)sulfanylbutyl] N,N-dimethylcarbamothioate Openeye Name: S-[4-(4-nitrophenyl)sulfanylbutyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[4-[(4-nitrophenyl)thio]butyl] ester IUPAC Name: S-[4-(4-nitrophenyl)sulfanylbutyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[4-[(4-nitrophenyl)thio]butyl] ester Formula: C13H18N2O3S2 MolecularWeight: 314.42362

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)SCCCCSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)SCCCCSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O3S2/c1-14(2)13(16)20-10-4-3-9-19-12-7-5-11(6-8-12)15(17)18/h5-8H,3-4,9-10H2,1-2H3