1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[(4-nitrophenyl)methyl]-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(4-nitrobenzyl)piperazino]-2-(phenylthio)ethanone Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c23-19(15-26-18-4-2-1-3-5-18)21-12-10-20(11-13-21)14-16-6-8-17(9-7-16)22(24)25/h1-9H,10-15H2