O-[2-[(2,6-dinitro-4-propyl-phenyl)amino]propanoyl-methyl-amino] N-methylcarbamothioate

Systemtic Name: O-[2-[(2,6-dinitro-4-propyl-phenyl)amino]propanoyl-methyl-amino] N-methylcarbamothioate Openeye Name: O-[2-(2,6-dinitro-4-propyl-anilino)propanoyl-methyl-amino] N-methylcarbamothioate CAS Name: N-methylcarbamothioic acid O-[[2-(2,6-dinitro-4-propylanilino)-1-oxopropyl]-methylamino] ester IUPAC Name: O-[2-(2,6-dinitro-4-propylanilino)propanoyl-methylamino] N-methylcarbamothioate Traditional Name: N-methylthiocarbamic acid O-[2-(2,6-dinitro-4-propyl-anilino)propanoyl-methyl-amino] ester Formula: C15H21N5O6S MolecularWeight: 399.42214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1)[N+](=O)[O-])NC(C)C(=O)N(C)OC(=S)NC)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=C(C(=C1)[N+](=O)[O-])NC(C)C(=O)N(C)OC(=S)NC)[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O6S/c1-5-6-10-7-11(19(22)23)13(12(8-10)20(24)25)17-9(2)14(21)18(4)26-15(27)16-3/h7-9,17H,5-6H2,1-4H3,(H,16,27)