4-(4-ethanoylpiperazin-1-yl)-3-nitro-N-(3-phenylsulfanylpropyl)benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-3-nitro-N-(3-phenylsulfanylpropyl)benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-3-nitro-N-(3-phenylsulfanylpropyl)benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-3-nitro-N-[3-(phenylthio)propyl]benzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-3-nitro-N-(3-phenylsulfanylpropyl)benzamide Traditional Name: 4-(4-acetylpiperazino)-3-nitro-N-[3-(phenylthio)propyl]benzamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCCCSC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCCCSC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4S/c1-17(27)24-11-13-25(14-12-24)20-9-8-18(16-21(20)26(29)30)22(28)23-10-5-15-31-19-6-3-2-4-7-19/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,28)