N-methyl-2-[(4-methyl-2,6-dinitro-phenyl)amino]propanethioamide

Systemtic Name: N-methyl-2-[(4-methyl-2,6-dinitro-phenyl)amino]propanethioamide Openeye Name: N-methyl-2-(4-methyl-2,6-dinitro-anilino)propanethioamide CAS Name: N-methyl-2-(4-methyl-2,6-dinitroanilino)propanethioamide IUPAC Name: N-methyl-2-(4-methyl-2,6-dinitroanilino)propanethioamide Traditional Name: N-methyl-2-(4-methyl-2,6-dinitro-anilino)thiopropionamide Formula: C11H14N4O4S MolecularWeight: 298.31826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(C)C(=S)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(C)C(=S)NC)[N+](=O)[O-]

InChI

InChI=1S/C11H14N4O4S/c1-6-4-8(14(16)17)10(9(5-6)15(18)19)13-7(2)11(20)12-3/h4-5,7,13H,1-3H3,(H,12,20)