[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[4-(2-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-keto-2-[4-(2-nitrophenyl)piperazino]ethyl] ester Formula: C17H24N4O3S2 MolecularWeight: 396.52746

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)N1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)N1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O3S2/c1-3-18(4-2)17(25)26-13-16(22)20-11-9-19(10-12-20)14-7-5-6-8-15(14)21(23)24/h5-8H,3-4,9-13H2,1-2H3