[1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] N,N-diethylcarbamodithioate

Systemtic Name: [1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] N,N-diethylcarbamodithioate Openeye Name: [1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C15H18F3N3O3S2 MolecularWeight: 409.44693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC(C)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCN(CC)C(=S)SC(C)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H18F3N3O3S2/c1-4-20(5-2)14(25)26-9(3)13(22)19-12-7-6-10(21(23)24)8-11(12)15(16,17)18/h6-9H,4-5H2,1-3H3,(H,19,22)