3-[4-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-en-2-yl]-2-nitro-phenyl]sulfanyl-N-(2-hydroxyethyl)benzamide

Systemtic Name: 3-[4-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-en-2-yl]-2-nitro-phenyl]sulfanyl-N-(2-hydroxyethyl)benzamide Openeye Name: 3-[4-[1-(4-acetylpiperazine-1-carbonyl)vinyl]-2-nitro-phenyl]sulfanyl-N-(2-hydroxyethyl)benzamide CAS Name: 3-[[4-[3-(4-acetyl-1-piperazinyl)-3-oxoprop-1-en-2-yl]-2-nitrophenyl]thio]-N-(2-hydroxyethyl)benzamide IUPAC Name: 3-[4-[3-(4-acetylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]-2-nitrophenyl]sulfanyl-N-(2-hydroxyethyl)benzamide Traditional Name: 3-[[4-[1-(4-acetylpiperazine-1-carbonyl)vinyl]-2-nitro-phenyl]thio]-N-(2-hydroxyethyl)benzamide Formula: C24H26N4O6S MolecularWeight: 498.55144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O6S/c1-16(24(32)27-11-9-26(10-12-27)17(2)30)18-6-7-22(21(15-18)28(33)34)35-20-5-3-4-19(14-20)23(31)25-8-13-29/h3-7,14-15,29H,1,8-13H2,2H3,(H,25,31)