1-[4-(2-nitrophenyl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one

Systemtic Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one Openeye Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one CAS Name: 1-[4-(2-nitrophenyl)-1-piperazinyl]-4-(phenylthio)-1-butanone IUPAC Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-4-phenylsulfanylbutan-1-one Traditional Name: 1-[4-(2-nitrophenyl)piperazino]-4-(phenylthio)butan-1-one Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CCCSC3=CC=CC=C3

InChI

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