1-(3-nitro-4-phenylsulfanyl-phenyl)-3-[4-(phenylcarbonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 1-(3-nitro-4-phenylsulfanyl-phenyl)-3-[4-(phenylcarbonyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-benzoylpiperazin-1-yl)-1-(3-nitro-4-phenylsulfanyl-phenyl)propan-1-one CAS Name: 3-(4-benzoyl-1-piperazinyl)-1-[3-nitro-4-(phenylthio)phenyl]-1-propanone IUPAC Name: 3-(4-benzoylpiperazin-1-yl)-1-(3-nitro-4-phenylsulfanylphenyl)propan-1-one Traditional Name: 3-(4-benzoylpiperazino)-1-[3-nitro-4-(phenylthio)phenyl]propan-1-one Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4S/c30-24(13-14-27-15-17-28(18-16-27)26(31)20-7-3-1-4-8-20)21-11-12-25(23(19-21)29(32)33)34-22-9-5-2-6-10-22/h1-12,19H,13-18H2