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

Systemtic Name: 2-[4-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-en-2-yl]-2-nitro-phenyl]sulfanylbenzaldehyde Openeye Name: 2-[4-[1-(4-acetylpiperazine-1-carbonyl)vinyl]-2-nitro-phenyl]sulfanylbenzaldehyde CAS Name: 2-[[4-[3-(4-acetyl-1-piperazinyl)-3-oxoprop-1-en-2-yl]-2-nitrophenyl]thio]benzaldehyde IUPAC Name: 2-[4-[3-(4-acetylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]-2-nitrophenyl]sulfanylbenzaldehyde Traditional Name: 2-[[4-[1-(4-acetylpiperazine-1-carbonyl)vinyl]-2-nitro-phenyl]thio]benzaldehyde Formula: C22H21N3O5S MolecularWeight: 439.48424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5S/c1-15(22(28)24-11-9-23(10-12-24)16(2)27)17-7-8-21(19(13-17)25(29)30)31-20-6-4-3-5-18(20)14-26/h3-8,13-14H,1,9-12H2,2H3