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

Systemtic Name: N-ethyl-2-[(4-methyl-2,6-dinitro-phenyl)amino]propanethioamide Openeye Name: N-ethyl-2-(4-methyl-2,6-dinitro-anilino)propanethioamide CAS Name: N-ethyl-2-(4-methyl-2,6-dinitroanilino)propanethioamide IUPAC Name: N-ethyl-2-(4-methyl-2,6-dinitroanilino)propanethioamide Traditional Name: N-ethyl-2-(4-methyl-2,6-dinitro-anilino)thiopropionamide Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C(C)NC1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCNC(=S)C(C)NC1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O4S/c1-4-13-12(21)8(3)14-11-9(15(17)18)5-7(2)6-10(11)16(19)20/h5-6,8,14H,4H2,1-3H3,(H,13,21)