1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-2-phenyl-2-(phenylthio)ethanone IUPAC Name: 1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone Traditional Name: 1-[4-(5-nitrothiophene-2-carbonyl)piperazino]-2-phenyl-2-(phenylthio)ethanone Formula: C23H21N3O4S2 MolecularWeight: 467.56054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(S2)[N+](=O)[O-])C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(S2)[N+](=O)[O-])C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O4S2/c27-22(19-11-12-20(32-19)26(29)30)24-13-15-25(16-14-24)23(28)21(17-7-3-1-4-8-17)31-18-9-5-2-6-10-18/h1-12,21H,13-16H2