2-[(4-methylphenyl)methylsulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(p-tolylmethylsulfanyl)ethanone CAS Name: 2-[(4-methylphenyl)methylthio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-methylbenzyl)thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3S/c1-16-2-4-17(5-3-16)14-27-15-20(24)22-12-10-21(11-13-22)18-6-8-19(9-7-18)23(25)26/h2-9H,10-15H2,1H3