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

Systemtic Name: ethyl 2-[(4-butyl-2,6-dinitro-phenyl)amino]-N-methyl-propanimidothioate Openeye Name: ethyl 2-(4-butyl-2,6-dinitro-anilino)-N-methyl-propanimidothioate CAS Name: 2-(4-butyl-2,6-dinitroanilino)-N-methylpropanimidothioic acid ethyl ester IUPAC Name: ethyl 2-(4-butyl-2,6-dinitroanilino)-N-methylpropanimidothioate Traditional Name: 2-(4-butyl-2,6-dinitro-anilino)-N-methyl-thiopropionimidic acid ethyl ester Formula: C16H24N4O4S MolecularWeight: 368.45116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C(=C1)[N+](=O)[O-])NC(C)C(=NC)SCC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=C(C(=C1)[N+](=O)[O-])NC(C)C(=NC)SCC)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O4S/c1-5-7-8-12-9-13(19(21)22)15(14(10-12)20(23)24)18-11(3)16(17-4)25-6-2/h9-11,18H,5-8H2,1-4H3