2-(4-nitrophenyl)sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(3-thienylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-nitrophenyl)thio]-1-[4-(3-thiophenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-nitrophenyl)thio]-1-[4-(3-thenyl)piperazino]ethanone Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3S2/c21-17(13-25-16-3-1-15(2-4-16)20(22)23)19-8-6-18(7-9-19)11-14-5-10-24-12-14/h1-5,10,12H,6-9,11,13H2