2-[4-[(E)-3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenyl]sulfanylbenzamide

Systemtic Name: 2-[4-[(E)-3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenyl]sulfanylbenzamide Openeye Name: 2-[4-[(E)-3-(4-acetylpiperazin-1-yl)-3-oxo-prop-1-enyl]-2-nitro-phenyl]sulfanylbenzamide CAS Name: 2-[[4-[(E)-3-(4-acetyl-1-piperazinyl)-3-oxoprop-1-enyl]-2-nitrophenyl]thio]benzamide IUPAC Name: 2-[4-[(E)-3-(4-acetylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-nitrophenyl]sulfanylbenzamide Traditional Name: 2-[[4-[(E)-3-(4-acetylpiperazino)-3-keto-prop-1-enyl]-2-nitro-phenyl]thio]benzamide Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)SC3=CC=CC=C3C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)SC3=CC=CC=C3C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5S/c1-15(27)24-10-12-25(13-11-24)21(28)9-7-16-6-8-20(18(14-16)26(30)31)32-19-5-3-2-4-17(19)22(23)29/h2-9,14H,10-13H2,1H3,(H2,23,29)/b9-7+