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

Systemtic Name: 4-[4-[(E)-3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenyl]sulfanylbenzaldehyde Openeye Name: 4-[4-[(E)-3-(4-acetylpiperazin-1-yl)-3-oxo-prop-1-enyl]-2-nitro-phenyl]sulfanylbenzaldehyde CAS Name: 4-[[4-[(E)-3-(4-acetyl-1-piperazinyl)-3-oxoprop-1-enyl]-2-nitrophenyl]thio]benzaldehyde IUPAC Name: 4-[4-[(E)-3-(4-acetylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-nitrophenyl]sulfanylbenzaldehyde Traditional Name: 4-[[4-[(E)-3-(4-acetylpiperazino)-3-keto-prop-1-enyl]-2-nitro-phenyl]thio]benzaldehyde Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)SC3=CC=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)SC3=CC=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5S/c1-16(27)23-10-12-24(13-11-23)22(28)9-5-17-4-8-21(20(14-17)25(29)30)31-19-6-2-18(15-26)3-7-19/h2-9,14-15H,10-13H2,1H3/b9-5+