2-(4-chloranyl-2-nitro-phenoxy)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-2-nitro-phenoxy)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-2-nitro-phenoxy)-1-[4-(2-thienylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(4-chloro-2-nitrophenoxy)-1-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-2-nitrophenoxy)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-2-nitro-phenoxy)-1-[4-(2-thenyl)piperazino]ethanone Formula: C17H18ClN3O4S MolecularWeight: 395.86052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN3O4S/c18-13-3-4-16(15(10-13)21(23)24)25-12-17(22)20-7-5-19(6-8-20)11-14-2-1-9-26-14/h1-4,9-10H,5-8,11-12H2