S-[(4-nitrophenyl)methyl] N,N-bis(2-hydroxyethyl)carbamothioate

Systemtic Name: S-[(4-nitrophenyl)methyl] N,N-bis(2-hydroxyethyl)carbamothioate Openeye Name: S-[(4-nitrophenyl)methyl] N,N-bis(2-hydroxyethyl)carbamothioate CAS Name: N,N-bis(2-hydroxyethyl)carbamothioic acid S-[(4-nitrophenyl)methyl] ester IUPAC Name: S-[(4-nitrophenyl)methyl] N,N-bis(2-hydroxyethyl)carbamothioate Traditional Name: N,N-bis(2-hydroxyethyl)thiocarbamic acid S-(4-nitrobenzyl) ester Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(=O)N(CCO)CCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC(=O)N(CCO)CCO)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O5S/c15-7-5-13(6-8-16)12(17)20-9-10-1-3-11(4-2-10)14(18)19/h1-4,15-16H,5-9H2