[2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-(2,6-dibromo-4-nitro-anilino)-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-(2,6-dibromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C13H15Br2N3O3S2 MolecularWeight: 485.2145

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=C(C=C(C=C1Br)[N+](=O)[O-])Br

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=C(C=C(C=C1Br)[N+](=O)[O-])Br

InChI

InChI=1S/C13H15Br2N3O3S2/c1-3-17(4-2)13(22)23-7-11(19)16-12-9(14)5-8(18(20)21)6-10(12)15/h5-6H,3-4,7H2,1-2H3,(H,16,19)