methyl N-[[2-(2-nitropropylsulfinyl)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(2-nitropropylsulfinyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(2-nitropropylsulfinyl)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-(2-nitropropylsulfinyl)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(2-nitropropylsulfinyl)phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(2-nitropropylsulfinyl)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C12H15N3O5S2 MolecularWeight: 345.3946

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)C1=CC=CC=C1NC(=S)NC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(CS(=O)C1=CC=CC=C1NC(=S)NC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5S2/c1-8(15(17)18)7-22(19)10-6-4-3-5-9(10)13-11(21)14-12(16)20-2/h3-6,8H,7H2,1-2H3,(H2,13,14,16,21)