2-(4-nitrophenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 2-[(4-nitrophenyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-(4-benzylpiperazino)-2-[(4-nitrophenyl)thio]ethanone Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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