1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(phenylmethylsulfanyl)propan-1-one

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(phenylmethylsulfanyl)propan-1-one Openeye Name: 3-benzylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-3-(phenylmethylthio)-1-propanone IUPAC Name: 3-benzylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(benzylthio)-1-[4-(4-nitrophenyl)piperazino]propan-1-one Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCSCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCSCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S/c24-20(10-15-27-16-17-4-2-1-3-5-17)22-13-11-21(12-14-22)18-6-8-19(9-7-18)23(25)26/h1-9H,10-16H2