1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-nitrothiophen-3-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-nitrothiophen-3-yl)sulfanyl-ethanone Openeye Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(2-nitro-3-thienyl)sulfanyl]ethanone CAS Name: 1-[4-(4-chlorophenyl)-1-piperazinyl]-2-[(2-nitro-3-thiophenyl)thio]ethanone IUPAC Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-nitrothiophen-3-yl)sulfanylethanone Traditional Name: 1-[4-(4-chlorophenyl)piperazino]-2-[(2-nitro-3-thienyl)thio]ethanone Formula: C16H16ClN3O3S2 MolecularWeight: 397.89954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)CSC3=C(SC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)CSC3=C(SC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClN3O3S2/c17-12-1-3-13(4-2-12)18-6-8-19(9-7-18)15(21)11-25-14-5-10-24-16(14)20(22)23/h1-5,10H,6-9,11H2