2-naphthalen-2-ylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-naphthalen-2-ylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(2-naphthylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-(2-naphthalenylthio)-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-naphthalen-2-ylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(2-naphthylthio)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H21N3O3S/c26-22(16-29-21-10-5-17-3-1-2-4-18(17)15-21)24-13-11-23(12-14-24)19-6-8-20(9-7-19)25(27)28/h1-10,15H,11-14,16H2